Home Nitro Compounds 5455-59-4
5455-59-4,MFCD00009807
Catalog No.:AA00DE3O

5455-59-4 | 2-Nitrobenzenesulfonamide

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Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$6.00   $4.00
- +
10g
98%
in stock  
$7.00   $5.00
- +
25g
98%
in stock  
$16.00   $11.00
- +
100g
95%
in stock  
$41.00   $29.00
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250g
95%
in stock  
$97.00   $68.00
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500g
98%
in stock  
$155.00   $109.00
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  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DE3O
Chemical Name:
2-Nitrobenzenesulfonamide
CAS Number:
5455-59-4
Molecular Formula:
C6H6N2O4S
Molecular Weight:
202.1878
MDL Number:
MFCD00009807
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)N
Properties
Properties
 
BP:
418.8°C at 760 mmHg  
Form:
Solid  
MP:
189-194 °C  
Refractive Index:
1.6490 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
289  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
0.3  

Upstream Synthesis Route

[1]Patent:CN104761514,2016,B,.Locationinpatent:Paragraph0028-0030

[2]TetrahedronLetters,2001,vol.42,#33,p.5601-5603

[3]BioorganicandMedicinalChemistry,2012,vol.20,#7,p.2455-2478

[4]BioorganicandMedicinalChemistry,2013,vol.21,#17,p.5647-5647

[5]BihangtillSvenskaVet.-Akad.Handlingar,vol.27,p.II,No.1,S.4

[6]HelveticaChimicaActa,1929,vol.12,p.663

[7]Diss.<Zuerich1928>,S.30,

[8]JournalofMedicinalChemistry,1965,vol.8,p.691-694

[9]ChemicalCommunications,2014,vol.50,#49,p.6526-6529

[10]GreenChemistry,2017,vol.19,#3,p.809-815

[1]JournalofOrganicChemistry,2018,vol.83,#16,p.9088-9095

[2]Patent:CN104761514,2016,B,.Locationinpatent:Paragraph0023-0025

[3]Patent:JP2005/314398,2005,A,.Locationinpatent:Page/Pagecolumn25

[4]JustusLiebigsAnnalenderChemie,1875,vol.177,p.62

[5]MagneticResonanceinChemistry,1987,vol.25,p.189-193

[6]RussianJournalofOrganicChemistry,2001,vol.37,#1,p.87-92

[7]TetrahedronLetters,2005,vol.46,#31,p.5127-5130

[8]StructuralChemistry,2011,vol.22,#2,p.373-383

[9]BioorganicandMedicinalChemistry,2012,vol.20,#7,p.2455-2478

[10]BioorganicandMedicinalChemistry,2013,vol.21,#17,p.5647-5647

[11]EuropeanJournalofMedicinalChemistry,2016,vol.117,p.167-178

[12]Tetrahedron,2014,vol.70,#48,p.9224-9229

[1]Heterocycles,1994,vol.37,#3,p.1511-1520

[1]TetrahedronLetters,2005,vol.46,#31,p.5127-5130

[1]EuropeanJournalofMedicinalChemistry,2016,vol.117,p.167-178

Downstream Synthesis Route

[1]Patent:CN104761514,2016,B.Locationinpatent:Paragraph0028-0030

[2]ChemicalScience,2018,vol.9,p.8553-8560

[3]TetrahedronLetters,2001,vol.42,p.5601-5603

[4]BioorganicandMedicinalChemistry,2012,vol.20,p.2455-2478

[5]BioorganicandMedicinalChemistry,2013,vol.21,p.5647-5647

[6]Patent:WO2019/43139,2019,A1.Locationinpatent:Page/Pagecolumn51

[7],vol.27,p.II,No.1,S.4

[8]HelveticaChimicaActa,1929,vol.12,p.663

[9]JournalofMedicinalChemistry,1965,vol.8,p.691-694

[10]ChemicalCommunications,2014,vol.50,p.6526-6529

[11]GreenChemistry,2017,vol.19,p.809-815

[12]Patent:WO2019/217834,2019,A1.Locationinpatent:Page/Pagecolumn27

[1]JournalofOrganicChemistry,2018,vol.83,p.9088-9095

[2]Patent:CN104761514,2016,B.Locationinpatent:Paragraph0023-0025

[3]Patent:JP2005/314398,2005,A.Locationinpatent:Page/Pagecolumn25

[4]JustusLiebigsAnnalenderChemie,1875,vol.177,p.62

[5]MagneticResonanceinChemistry,1987,vol.25,p.189-193

[6]RussianJournalofOrganicChemistry,2001,vol.37,p.87-92

[7]TetrahedronLetters,2005,vol.46,p.5127-5130

[8]StructuralChemistry,2011,vol.22,p.373-383

[9]BioorganicandMedicinalChemistry,2012,vol.20,p.2455-2478

[10]BioorganicandMedicinalChemistry,2013,vol.21,p.5647-5647

[11]EuropeanJournalofMedicinalChemistry,2016,vol.117,p.167-178

[12]Tetrahedron,2014,vol.70,p.9224-9229

[13]JournalofComputer-AidedMolecularDesign,2019,vol.33,p.775-785

[14]Patent:WO2019/217834,2019,A1.Locationinpatent:Page/Pagecolumn27

62-53-3   
4-nitro-1-(o-nitrobenzenesulfonyl)imidazole 
  5455-59-4    3034-38-6    41384-83-2 

[1]Heterocycles,1994,vol.37,p.1511-1520

[1]OrganicandBiomolecularChemistry,2019,vol.17,p.8522-8526

[2]Synlett,1999,p.1301-1303

[3]Patent:JP2005/314398,2005,A.Locationinpatent:Page/Pagecolumn25-26

[4]IlFarmaco,1997,vol.52,p.375-378

[5]Tetrahedron,2002,vol.58,p.7503-7518

[6]Tetrahedron,2000,vol.56,p.9633-9640

[7]Chemistry-AEuropeanJournal,2011,vol.17,p.13789-13794

[8]AngewandteChemie-InternationalEdition,2020,vol.59,p.704-710    Angew.Chem.,2020,vol.132,p.714-720,7

5455-59-4    51411-04-2   
N-2-(1,3-Dioxo-1H,3H-benzodeisoquinolin-2-yl)-acetyl-2-nitro-benzenesulfonamide 

[1]EuropeanJournalofMedicinalChemistry,1998,vol.33,p.15-22

Literature

Title: N-(4-Methyl-benzo-yl)-2-nitro-benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20120301

Title: N-(3-Chloro-benzo-yl)-2-nitro-benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20120301

Title: N-(2-Chloro-benzo-yl)-2-nitro-benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20120201

Title: N-Benzoyl-2-nitro-benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20120201

Title: N-(3-Methyl-benzo-yl)-2-nitro-benzene-sulfonamide.

Journal: Acta crystallographica. Section E, Structure reports online 20120201

Title: ChemicalTagger: A tool for semantic text-mining in chemistry.

Journal: Journal of cheminformatics 20110101

Title: Total synthesis of (+)-vinblastine: control of the stereochemistry at C18'.

Journal: Chemical record (New York, N.Y.) 20100401

Title: Synthesis of a 6-aryloxymethyl-5-hydroxy-2,3,4,5-tetrahydro-[1H]-2-benzazepin-4-one: a muscarinic (M3) antagonist.

Journal: Organic & biomolecular chemistry 20080621

Title: Novel use of chemical shift in NMR as molecular descriptor: a first report on modeling carbonic anhydrase inhibitory activity and related parameters.

Journal: Bioorganic & medicinal chemistry letters 20050215

Title: Topological modeling of lipophilicity, diuretic activity, and carbonic inhibition activity of benzene sulfonamides: a molecular connectivity approach.

Journal: Bioorganic & medicinal chemistry letters 20041115

Title: DNA display III. Solid-phase organic synthesis on unprotected DNA.

Journal: PLoS biology 20040701

Title: An efficient and versatile synthesis of acylpolyamine spider toxins.

Journal: Bioorganic & medicinal chemistry letters 20020211

Title: A rigid linker-scaffold for solid-phase synthesis of dimeric pharmacophores.

Journal: Journal of combinatorial chemistry 20010101

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