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5398-96-9,MFCD00233404
Catalog No.:AA00DNIE

5398-96-9 | 2-(Phenylsulfonamido)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$50.00   $35.00
- +
1g
95%
in stock  
$86.00   $60.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DNIE
Chemical Name:
2-(Phenylsulfonamido)acetic acid
CAS Number:
5398-96-9
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD00233404
SMILES:
OC(=O)CNS(=O)(=O)c1ccccc1
Properties
Computed Properties
 
Complexity:
287  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.5  

Downstream Synthesis Route

[1]BollettinoChimicoFarmaceutico,2002,vol.141,p.389-393

[2]RocznikiChemii,1958,vol.32,p.533,541    Chem.Abstr.,1959,p.2138

[1]Nikolenko[ZhurnalObshcheiKhimii,1956,vol.26,p.806;engl.Ausg.S.921]

[1]Ugwu;Okoro;Ukoha;Okafor;Ibezim;Kumar[EuropeanJournalofMedicinalChemistry,2017,vol.135,p.349-369]

[2]Ugwu,DavidIzuchukwu;Okoro,UchechukwuChris;Mishra,NarendraKumar[PLoSONE,2018,vol.13,#1]

[3]Locationinpatent:experimentalpartTamaddon,Fatemeh;Sabeti,MohammadReza;Jafari,AbbasAli;Tirgir,Farhang;Keshavarz,Elham[JournalofMolecularCatalysisA:Chemical,2011,vol.351,p.41-45]

[4]Locationinpatent:experimentalpartKommidi,Harikrishna;Balasubramaniam,Sivaraman;Aidhen,IndrapalSingh[Tetrahedron,2010,vol.66,#21,p.3723-3729]

[5]Locationinpatent:experimentalpartTamaddon,Fatemeh;Nasiri,Alireza;Farokhi,Somayeh[CatalysisCommunications,2011,vol.12,#15,p.1477-1482]

[6]DeRuiter;Brubaker;Garner;Barksdale;Mayfield[JournalofPharmaceuticalSciences,1987,vol.76,#2,p.149-152]

[7]Mahajan;Patial,VedParkash;Sharma,Pamita[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2002,vol.41,#12,p.2635-2641]

[8]Tai,Xi-Shi;Chu,Si-Yuan;Tang,Chun-Ying[AsianJournalofChemistry,2013,vol.25,#4,p.1913-1916]

[9]Cocker;Lapworth[JournaloftheChemicalSociety,1931,p.1894,1897]

[10]Ihrfelt[ChemischeBerichte,22Ref.<1889>,692]

[11]Inagaki;Miwa;Yashiro;Okuda[ChemicalandPharmaceuticalBulletin,1982,vol.30,#9,p.3244-3254]

[12]Scozzafava,Andrea;Supuran,ClaudiuT.[EuropeanJournalofMedicinalChemistry,2000,vol.35,#3,p.299-307]

[13]El-Sharief;Ammar;Zahran;Ali;El-Gaby[Molecules,2001,vol.6,#3,p.267-278]

[14]Locationinpatent:schemeortableAlexiou,Polyxeni;Demopoulos,VassilisJ.[JournalofMedicinalChemistry,2010,vol.53,#21,p.7756-7766]

[15]Jain,Priti;Wadhwa,PankajK.;Gunapati,Sinduri;Jadhav,HemantR.[BioorganicandMedicinalChemistry,2016,vol.24,#11,p.2567-2575]

[16]Kumar,Devendra;Gupta,SukeshK.;Ganeshpurkar,Ankit;Gutti,Gopichand;Krishnamurthy,Sairam;Modi,Gyan;Singh,SushilK.[EuropeanJournalofMedicinalChemistry,2018,vol.150,p.87-101]

[17]Ugwu,DavidI.;Okoro,UchechukwuC.;Mishra,NarendraK.;Okafor,SundayN.[LipidsinHealthandDisease,2018,vol.17,#1]

[18]CurrentPatentAssignee:SHISEIDOCOMPANYLIMITED-EP1884230,2008,A1Locationinpatent:Page/Pagecolumn11

[19]Nazeri,MohammadTaghi;BeygzadeNowee,Ali;Shaabani,Ahmad[NewJournalofChemistry,2021,vol.45,#7,p.3479-3484]

[1]Cocker;Lapworth[JournaloftheChemicalSociety,1931,p.1894,1897]

[1]Shanahan,StephenE.;Byrne,DouglasD.;Inglis,GrahamG.A.;Alam,Mahbub;Macdonald,SimonJ.F.[ChemicalCommunications,2002,#21,p.2554-2555]

Literature

Title: A diverse series of substituted benzenesulfonamides as aldose reductase inhibitors with antioxidant activity: design, synthesis, and in vitro activity.

Journal: Journal of medicinal chemistry 20101111

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: 2-(4-Bromo-benzene-sulfonamido)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20090801

Title: 2-(2-Iodo-benzenesulfonamido)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20090301

Title: 2-(Benzene-sulfonamido)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20081201

Title: Design and synthesis of N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamides as aldose reductase inhibitors.

Journal: Bioorganic & medicinal chemistry 20080401

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Tags:5398-96-9 Molecular Formula|5398-96-9 MDL|5398-96-9 SMILES|5398-96-9 2-(Phenylsulfonamido)acetic acid
Catalog No.: AA00DNIE
5398-96-9,MFCD00233404
5398-96-9 | 2-(Phenylsulfonamido)acetic acid
Pack Size： 250mg
Purity： 95%
in stock
$50.00 $35.00
Pack Size： 1g
Purity： 95%
in stock
$86.00 $60.00
Quantity
- +
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Technical Information
Catalog Number: AA00DNIE
Chemical Name: 2-(Phenylsulfonamido)acetic acid
CAS Number: 5398-96-9
Molecular Formula: C8H9NO4S
Molecular Weight: 215.2264
MDL Number: MFCD00233404
SMILES: OC(=O)CNS(=O)(=O)c1ccccc1
Properties
Complexity: 287  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.5  
Downstream Synthesis Route
67-56-1    5398-96-9    69398-48-7 

[1]BollettinoChimicoFarmaceutico,2002,vol.141,p.389-393

[2]RocznikiChemii,1958,vol.32,p.533,541    Chem.Abstr.,1959,p.2138

591-50-4    5398-96-9    59724-82-2 

[1]Nikolenko[ZhurnalObshcheiKhimii,1956,vol.26,p.806;engl.Ausg.S.921]

98-09-9    56-40-6    5398-96-9 

[1]Ugwu;Okoro;Ukoha;Okafor;Ibezim;Kumar[EuropeanJournalofMedicinalChemistry,2017,vol.135,p.349-369]

[2]Ugwu,DavidIzuchukwu;Okoro,UchechukwuChris;Mishra,NarendraKumar[PLoSONE,2018,vol.13,#1]

[3]Locationinpatent:experimentalpartTamaddon,Fatemeh;Sabeti,MohammadReza;Jafari,AbbasAli;Tirgir,Farhang;Keshavarz,Elham[JournalofMolecularCatalysisA:Chemical,2011,vol.351,p.41-45]

[4]Locationinpatent:experimentalpartKommidi,Harikrishna;Balasubramaniam,Sivaraman;Aidhen,IndrapalSingh[Tetrahedron,2010,vol.66,#21,p.3723-3729]

[5]Locationinpatent:experimentalpartTamaddon,Fatemeh;Nasiri,Alireza;Farokhi,Somayeh[CatalysisCommunications,2011,vol.12,#15,p.1477-1482]

[6]DeRuiter;Brubaker;Garner;Barksdale;Mayfield[JournalofPharmaceuticalSciences,1987,vol.76,#2,p.149-152]

[7]Mahajan;Patial,VedParkash;Sharma,Pamita[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2002,vol.41,#12,p.2635-2641]

[8]Tai,Xi-Shi;Chu,Si-Yuan;Tang,Chun-Ying[AsianJournalofChemistry,2013,vol.25,#4,p.1913-1916]

[9]Cocker;Lapworth[JournaloftheChemicalSociety,1931,p.1894,1897]

[10]Ihrfelt[ChemischeBerichte,22Ref.<1889>,692]

[11]Inagaki;Miwa;Yashiro;Okuda[ChemicalandPharmaceuticalBulletin,1982,vol.30,#9,p.3244-3254]

[12]Scozzafava,Andrea;Supuran,ClaudiuT.[EuropeanJournalofMedicinalChemistry,2000,vol.35,#3,p.299-307]

[13]El-Sharief;Ammar;Zahran;Ali;El-Gaby[Molecules,2001,vol.6,#3,p.267-278]

[14]Locationinpatent:schemeortableAlexiou,Polyxeni;Demopoulos,VassilisJ.[JournalofMedicinalChemistry,2010,vol.53,#21,p.7756-7766]

[15]Jain,Priti;Wadhwa,PankajK.;Gunapati,Sinduri;Jadhav,HemantR.[BioorganicandMedicinalChemistry,2016,vol.24,#11,p.2567-2575]

[16]Kumar,Devendra;Gupta,SukeshK.;Ganeshpurkar,Ankit;Gutti,Gopichand;Krishnamurthy,Sairam;Modi,Gyan;Singh,SushilK.[EuropeanJournalofMedicinalChemistry,2018,vol.150,p.87-101]

[17]Ugwu,DavidI.;Okoro,UchechukwuC.;Mishra,NarendraK.;Okafor,SundayN.[LipidsinHealthandDisease,2018,vol.17,#1]

[18]CurrentPatentAssignee:SHISEIDOCOMPANYLIMITED-EP1884230,2008,A1Locationinpatent:Page/Pagecolumn11

[19]Nazeri,MohammadTaghi;BeygzadeNowee,Ali;Shaabani,Ahmad[NewJournalofChemistry,2021,vol.45,#7,p.3479-3484]

5398-96-9    77-78-1    46376-16-3 

[1]Cocker;Lapworth[JournaloftheChemicalSociety,1931,p.1894,1897]

34545-74-9    5398-96-9 

[1]Shanahan,StephenE.;Byrne,DouglasD.;Inglis,GrahamG.A.;Alam,Mahbub;Macdonald,SimonJ.F.[ChemicalCommunications,2002,#21,p.2554-2555]

Literature fold

Title: A diverse series of substituted benzenesulfonamides as aldose reductase inhibitors with antioxidant activity: design, synthesis, and in vitro activity.

Journal: Journal of medicinal chemistry20101111

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: 2-(4-Bromo-benzene-sulfonamido)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online20090801

Title: 2-(2-Iodo-benzenesulfonamido)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online20090301

Title: 2-(Benzene-sulfonamido)acetic acid.

Journal: Acta crystallographica. Section E, Structure reports online20081201

Title: Design and synthesis of N-(3,5-difluoro-4-hydroxyphenyl)benzenesulfonamides as aldose reductase inhibitors.

Journal: Bioorganic & medicinal chemistry20080401

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