Name: Name:3-phenylmethanesulfonamidobenzoic acid
Brand: Angene
SKU: AG019VFM
Rating: 90 (10 reviews)

3-phenylmethanesulfonamidobenzoic acid

CAS No.:

860699-55-4

Catalog Number:

AG019VFM

Molecular Formula:

C14H13NO4S

Molecular Weight:

291.3223

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Product Description

Catalog Number:

AG019VFM

Chemical Name:

3-phenylmethanesulfonamidobenzoic acid

CAS Number:

860699-55-4

Molecular Formula:

C14H13NO4S

Molecular Weight:

291.3223

MDL Number:

MFCD09729465

IUPAC Name:

3-(benzylsulfonylamino)benzoic acid

InChI:

InChI=1S/C14H13NO4S/c16-14(17)12-7-4-8-13(9-12)15-20(18,19)10-11-5-2-1-3-6-11/h1-9,15H,10H2,(H,16,17)

InChI Key:

QIKUOKKSPSEHEY-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)NS(=O)(=O)Cc1ccccc1

Properties

Complexity:

423

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:

1.9

Literature

Title	Journal
Design and synthesis of small molecule glycerol 3-phosphate acyltransferase inhibitors.	Journal of medicinal chemistry 20090528