Name: Name:2-(((4-chlorophenyl)sulfonyl)amino)-benzoicaci
Brand: Angene
SKU: AG00DIG5
Rating: 90 (10 reviews)

2-(((4-chlorophenyl)sulfonyl)amino)-benzoicaci

CAS No.:

51012-31-8

Catalog Number:

AG00DIG5

Molecular Formula:

C13H10ClNO4S

Molecular Weight:

311.7408

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Product Description

Catalog Number:

AG00DIG5

Chemical Name:

2-(((4-chlorophenyl)sulfonyl)amino)-benzoicaci

CAS Number:

51012-31-8

Molecular Formula:

C13H10ClNO4S

Molecular Weight:

311.7408

MDL Number:

MFCD00553026

IUPAC Name:

2-[(4-chlorophenyl)sulfonylamino]benzoic acid

InChI:

InChI=1S/C13H10ClNO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17)

InChI Key:

OWHRRXDJMFQNDI-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)O

NSC Number:

626929

Properties

Complexity:

440

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.002g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.736g/mol

Monoisotopic Mass:

311.002g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8

Literature

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

Properties