Name: Name:Benzoic acid, 4-[[(4-methylphenyl)amino]sulfonyl]-
Brand: Angene
SKU: AG00I7GR
Rating: 90 (10 reviews)

Benzoic acid, 4-[[(4-methylphenyl)amino]sulfonyl]-

CAS No.:

379254-26-9

Catalog Number:

AG00I7GR

Molecular Formula:

C14H13NO4S

Molecular Weight:

291.3223

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Product Description

Catalog Number:

AG00I7GR

Chemical Name:

Benzoic acid, 4-[[(4-methylphenyl)amino]sulfonyl]-

CAS Number:

379254-26-9

Molecular Formula:

C14H13NO4S

Molecular Weight:

291.3223

MDL Number:

MFCD03147233

IUPAC Name:

4-[(4-methylphenyl)sulfamoyl]benzoic acid

InChI:

InChI=1S/C14H13NO4S/c1-10-2-6-12(7-3-10)15-20(18,19)13-8-4-11(5-9-13)14(16)17/h2-9,15H,1H3,(H,16,17)

InChI Key:

NWOOPPFGYBXGHY-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)C(=O)O

Properties

Complexity:

427

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

291.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

291.321g/mol

Monoisotopic Mass:

291.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Design and synthesis of benzenesulfonanilides active against methicillin-resistant Staphylococcus aureus and vancomycin-resistant Enterococcus.	Bioorganic & medicinal chemistry 20080601
Analgesic agents without gastric damage: design and synthesis of structurally simple benzenesulfonanilide-type cyclooxygenase-1-selective inhibitors.	Bioorganic & medicinal chemistry 20070115