Name: Name:4-[(2-methylphenyl)sulfamoyl]benzoic acid
Brand: Angene
SKU: AG019GO1
Rating: 90 (10 reviews)

4-[(2-methylphenyl)sulfamoyl]benzoic acid

CAS No.:

519153-07-2

Catalog Number:

AG019GO1

Molecular Formula:

C14H13NO4S

Molecular Weight:

291.3223

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Product Description

Catalog Number:

AG019GO1

Chemical Name:

4-[(2-methylphenyl)sulfamoyl]benzoic acid

CAS Number:

519153-07-2

Molecular Formula:

C14H13NO4S

Molecular Weight:

291.3223

MDL Number:

MFCD03480286

IUPAC Name:

4-[(2-methylphenyl)sulfamoyl]benzoic acid

InChI:

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

InChI Key:

VPMPYAXGUXACTQ-UHFFFAOYSA-N

SMILES:

Cc1ccccc1NS(=O)(=O)c1ccc(cc1)C(=O)O

Properties

Complexity:

435

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:

2.2

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