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70-55-3,MFCD01837119
Catalog No.:AA0035GK

70-55-3 | 4-Methylbenzenesulfonamide

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Technical Information
Catalog Number:
AA0035GK
Chemical Name:
4-Methylbenzenesulfonamide
CAS Number:
70-55-3
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD01837119
SMILES:
Cc1ccc(cc1)S(=O)(=O)N
NSC Number:
9908
Properties
Properties
 
BP:
322.2 °C at 760 mmHg  
Form:
Solid  
MP:
134-137 °C(lit.);  
Refractive Index:
1.6100 (estimate)  
Solubility:
DMSO: soluble  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
209  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.8  

Literature

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Title: C-H bond functionalization via hydride transfer: formation of α-arylated piperidines and 1,2,3,4-tetrahydroisoquinolines via stereoselective intramolecular amination of benzylic C-H bonds.

Journal: The Journal of organic chemistry 20120817

Title: Molecular cloning, characterization, and inhibition studies of a β-carbonic anhydrase from Malassezia globosa, a potential antidandruff target.

Journal: Journal of medicinal chemistry 20120412

Title: Furanyl cyclic amines: a diastereoselective synthesis of 2,6-syn-disubstituted piperidines under thermodynamic control.

Journal: Organic & biomolecular chemistry 20120328

Title: A single Cu(II) catalyst for the three-component coupling of diverse nitrogen sources with aldehydes and alkynes.

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Title: Cloning, characterization and sulfonamide inhibition studies of an α-carbonic anhydrase from the living fossil sponge Astrosclera willeyana.

Journal: Bioorganic & medicinal chemistry 20120215

Title: A mild and efficient direct α-amination of β-dicarbonyl compounds using iodosobenzene and p-toluenesulfonamide catalyzed by perchlorate zinc hexahydrate.

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Title: Formalehyde in personal care products.

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Journal: Inorganic chemistry 20111219

Title: Lewis acid catalyzed direct cyanation of indoles and pyrroles with N-cyano-N-phenyl-p-toluenesulfonamide (NCTS).

Journal: Organic letters 20111021

Title: N,N'-(Ethane-1,2-di-yl)bis-(4-chloro-benzene-sulfonamide).

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Title: N-(2,4-Dichloro-phen-yl)-4-methyl-benzene-sulfonamide.

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Title: Inhibition studies of the β-carbonic anhydrases from the bacterial pathogen Salmonella enterica serovar Typhimurium with sulfonamides and sulfamates.

Journal: Bioorganic & medicinal chemistry 20110815

Title: N,N'-Bis(4-methyl-phenyl-sulfon-yl)-suberamide.

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Title: Switching of enantioselectivity in the catalytic addition of diethylzinc to aldehydes by regioisomeric chiral 1,3-amino sulfonamide ligands.

Journal: The Journal of organic chemistry 20110701

Title: Allylic C-H bond activation and functionalization mediated by tris(oxazolinyl)borato rhodium(I) and iridium(I) compounds.

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Title: 21-(4-Methyl-phenyl-sulfon-yl)-4,7,13,16-tetra-oxa-1,10,21-triaza-bicyclo-[8.8.5]tricosane-19,23-dione: an N-tosyl-ated macrobicyclic dilactam.

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Title: Synthesis of mono- and 1,3-diaminocalix[4]arenes via Ullmann-type amination and amidation of 1,3-bistriflate esters of calix[4]arenes.

Journal: The Journal of organic chemistry 20110401

Title: A new β-carbonic anhydrase from Brucella suis, its cloning, characterization, and inhibition with sulfonamides and sulfamates, leading to impaired pathogen growth.

Journal: Bioorganic & medicinal chemistry 20110201

Title: Identifying chelators for metalloprotein inhibitors using a fragment-based approach.

Journal: Journal of medicinal chemistry 20110127

Title: Carbonic anhydrase inhibitors. Inhibition studies with anions and sulfonamides of a new cytosolic enzyme from the scleractinian coral Stylophora pistillata.

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Title: Correlation analyses on binding affinity of substituted benzenesulfonamides with carbonic anhydrase using ab initio MO calculations on their complex structures (II).

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Title: 4-Chloro-N-(2,3-dichloro-phen-yl)benzene-sulfonamide.

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Title: N-(4-Chloro-pyridin-2-yl)-N-meth-oxy-methyl-4-methyl-benzene-sulfonamide.

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Title: Copper-catalyzed cascade syntheses of 2H-benzo[b][1,4]thiazin-3(4H)-ones and quinoxalin-2(1H)-ones through capturing S and N atom respectively from AcSH and TsNH(2).

Journal: The Journal of organic chemistry 20100820

Title: N-(2,6-Dimethyl-phen-yl)-4-methyl-benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20100501

Title: Cloning, characterization, and inhibition studies of a beta-carbonic anhydrase from Brucella suis.

Journal: Journal of medicinal chemistry 20100311

Title: Intramolecular anodic olefin coupling reactions and the synthesis of cyclic amines.

Journal: Journal of the American Chemical Society 20100303

Title: N-(4-Chloro-benzo-yl)-4-methyl-benzene-sulfonamide.

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Title: Modelling the removal of p-TSA (para-toluenesulfonamide) during rapid sand filtration used for drinking water treatment.

Journal: Water research 20100101

Title: Carbonic anhydrase inhibitors. Characterization and inhibition studies of the most active beta-carbonic anhydrase from Mycobacterium tuberculosis, Rv3588c.

Journal: Bioorganic & medicinal chemistry letters 20091201

Title: Preparation, X-ray structure, and oxidative reactivity of N-(2-iodylphenyl)tosylamides and 2-iodylphenyl tosylate: iodylarenes stabilized by ortho-substitution with a sulfonyl group.

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Title: 2-[(N-Benzyl-4-methyl-benzene-sul-fon-amido)meth-yl]pyridinium nitrate.

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Title: Gemcitabine plus cisplatin chemotherapy with concurrent para-toluenesulfonamide local injection therapy for peripherally advanced nonsmall cell lung cancer larger than 3 cm in the greatest dimension.

Journal: Anti-cancer drugs 20091001

Title: Silicon powder: the first nonmetal elemental catalyst for aminobromination of olefins with TsNH(2) and NBS.

Journal: Organic letters 20090917

Title: 2-Chloro-benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: o-Toluene-sulfonamide: a redetermination.

Journal: Acta crystallographica. Section E, Structure reports online 20090901

Title: Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides.

Journal: Bioorganic & medicinal chemistry 20090715

Title: Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides.

Journal: Bioorganic & medicinal chemistry 20090701

Title: Difluoro-lambda3-bromane-induced Hofmann rearrangement of sulfonamides: synthesis of sulfamoyl fluorides.

Journal: Journal of the American Chemical Society 20090624

Title: Carbonic anhydrase inhibitors. Cloning, characterization, and inhibition studies of a new beta-carbonic anhydrase from Mycobacterium tuberculosis.

Journal: Journal of medicinal chemistry 20090514

Title: Investigation of the fate of sulfonamides downgradient of a decommissioned sewage farm near Berlin, Germany.

Journal: Journal of contaminant hydrology 20090512

Title: [Therapeutic effect of para-toluenesulfonamide on transplanted hepatocarcinoma in nude mice].

Journal: Nan fang yi ke da xue xue bao = Journal of Southern Medical University 20090501

Title: Molecular cloning, characterization, and inhibition studies of the Rv1284 beta-carbonic anhydrase from Mycobacterium tuberculosis with sulfonamides and a sulfamate.

Journal: Journal of medicinal chemistry 20090423

Title: Hydrogen- and oxygen-driven interconversion between imido-bridged dirhodium(III) and amido-bridged dirhodium(II) complexes.

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Journal: Nature chemical biology 20090401

Title: Addition reactions of chloro- or iodomethyllithium to imines. Synthesis of enantiopure aziridines and beta-chloroamines.

Journal: The Journal of organic chemistry 20090320

Title: Green and efficient synthesis of sulfonamides catalyzed by nano-Ru/Fe(3)O(4).

Journal: Journal of the American Chemical Society 20090211

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Journal: The Journal of organic chemistry 20090206

Title: Carbonic anhydrase inhibitors: inhibition of the beta-class enzyme from the yeast Saccharomyces cerevisiae with sulfonamides and sulfamates.

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Journal: Bioorganic & medicinal chemistry 20081001

Title: Use of chemometric methodology in optimizing conditions for competitive binding partial filling affinity capillary electrophoresis.

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Title: Behaviour and biodegradation of sulfonamides (p-TSA, o-TSA, BSA) during drinking water treatment.

Journal: Chemosphere 20080401

Title: Three-component coupling reaction and cyclization of N-tosylimines and TMS-substituted propiolate mediated by DABCO.

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Title: Identification and significance of sulphonamides (p-TSA, o-TSA, BSA) in an urban water cycle (Berlin, Germany).

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Title: [Dose-effect relationship of para-toluenesulfonamide for treatment of hepatocellular carcinoma in rats].

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Title: Frequency and main sites of allergic contact dermatitis caused by nail varnish.

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Title: Tandem epoxide or aziridine ring opening by azide/copper catalyzed [3+2] cycloaddition: efficient synthesis of 1,2,3-triazolo beta-hydroxy or beta-tosylamino functionality motif.

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Title: Dentin decontamination using chloramine T prior to experiments involving bacteria.

Journal: Dental materials : official publication of the Academy of Dental Materials 20071201

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Journal: Bioorganic & medicinal chemistry 20071201

Title: Quantitative determination of three sulfonamides in environmental water samples using liquid chromatography coupled to electrospray tandem mass spectrometry.

Journal: Journal of chromatography. A 20070720

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Title: Reaction of p-toluenesulfonylamide and M(NMe2)4 (M = Ti, V): generation of electron-deficient imido complexes of early transition metals.

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Title: Human pharmaceuticals, antioxidants, and plasticizers in wastewater treatment plant and water reclamation plant effluents.

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Title: Carbonic anhydrase inhibitors. DNA cloning, characterization, and inhibition studies of the human secretory isoform VI, a new target for sulfonamide and sulfamate inhibitors.

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Journal: Biochemical pharmacology 20061215

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Title: Metabolism and effect of para-toluene-sulfonamide on rat liver microsomal cytochrome P450 from in vivo and in vitro studies.

Journal: Acta pharmacologica Sinica 20060501

Title: Carbonic anhydrase inhibitors: cloning and sulfonamide inhibition studies of a carboxyterminal truncated alpha-carbonic anhydrase from Helicobacter pylori.

Journal: Bioorganic & medicinal chemistry letters 20060415

Title: Carbonic anhydrase inhibitors: DNA cloning and inhibition studies of the alpha-carbonic anhydrase from Helicobacter pylori, a new target for developing sulfonamide and sulfamate gastric drugs.

Journal: Journal of medicinal chemistry 20060323

Title: Carbonic anhydrase inhibitors. The mitochondrial isozyme VB as a new target for sulfonamide and sulfamate inhibitors.

Journal: Journal of medicinal chemistry 20051201

Title: Employment of palladium pincer-complexes in phenylselenylation of organohalides.

Journal: The Journal of organic chemistry 20051111

Title: Platinum-based catalysts for the hydroamination of olefins with sulfonamides and weakly basic anilines.

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Title: Carbonic anhydrase inhibitors. Inhibition of the human cytosolic isozyme VII with aromatic and heterocyclic sulfonamides.

Journal: Bioorganic & medicinal chemistry letters 20050215

Title: Effects of a myosin-II inhibitor (N-benzyl-p-toluene sulphonamide, BTS) on contractile characteristics of intact fast-twitch mammalian muscle fibres.

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Title: Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives.

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Title: A highly efficient, preorganized macrobicyclic receptor for halides based on CH... and NH...anion interactions.

Journal: Journal of the American Chemical Society 20041006

Title: Development and validation of a gas chromatography/mass spectrometry procedure for confirmation of para-toluenesulfonamide in edible fish fillet tissue.

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Title: Synthetic methodology utilized to prepare substituted imidazole p38 MAP kinase inhibitors.

Journal: Current opinion in drug discovery & development 20031101

Title: Dioxygen-coupled oxidative amination of styrene.

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Title: Imino ene reaction catalyzed by ytterbium(III) triflate and TMSCl or TMSOTf.

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Title: Transition metal-catalyzed regio- and stereoselective aminobromination of olefins with TsNH2 and NBS as nitrogen and bromine sources.

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Title: 1,2-Silyl-migrative cyclization of vinylsilanes bearing an amino group.

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Title: Dichloro[N-[3-(eta5-cyclopentadienyl)propyl]-4-toluenesulfonamido-kappa2N,O]titanium(IV).

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Title: Alkynyliodonium salts in organic synthesis. Application to the total synthesis of the tropoloisoquinoline alkaloid pareitropone.

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Title: Design and synthesis of a series of indole glycoprotein IIb/IIIa inhibitors.

Journal: European journal of medicinal chemistry 20020101

Title: Biodegradation of p-toluenesulphonamide by a Pseudomonas sp.

Journal: FEMS microbiology letters 20011113

Title: Palladium-catalyzed cyclization of allylsilanes with nucleophilic displacement of the silyl group.

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Title: Improvement of the synthesis of diphenylmethyl 7beta-(o-hydroxy)benzylideneamino-3-hydroxymethyl-3-cephem-4-carboxylate.

Journal: Farmaco (Societa chimica italiana : 1989) 20010801

Title: Bis(mu-N-[2-(eta[5]-cyclopentadienyl)-ethyl]-4-toluenesulfonamido-N,O:O')-bis[bis(trifluoromethanesulfonato-O)-titanium(II)]bis(dichloromethane) solvate.

Journal: Acta crystallographica. Section C, Crystal structure communications 20010401

Title: Samarium(0) and 1,1'-dioctyl-4,4'-bipyridinium dibromide: a novel electron-transfer system for the chemoselective reduction of aromatic nitro groups.

Journal: The Journal of organic chemistry 20010209

Title: Performance of a proposed determinative method for p-TSA in rainbow trout fillet tissue and bridging the proposed method with a method for total chloramine-T residues in rainbow trout fillet tissue.

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Tags:70-55-3 Molecular Formula|70-55-3 MDL|70-55-3 SMILES|70-55-3 4-Methylbenzenesulfonamide |Organic_Building_Blocks