Name: Name:3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid
Brand: Angene
SKU: AG01A2JB
Rating: 90 (10 reviews)

3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid

CAS No.:

496051-23-1

Catalog Number:

AG01A2JB

Molecular Formula:

C11H8ClNO4S2

Molecular Weight:

317.7685

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Product Description

Catalog Number:

AG01A2JB

Chemical Name:

3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid

CAS Number:

496051-23-1

Molecular Formula:

C11H8ClNO4S2

Molecular Weight:

317.7685

MDL Number:

MFCD01763653

IUPAC Name:

3-[(4-chlorophenyl)sulfamoyl]thiophene-2-carboxylic acid

InChI:

InChI=1S/C11H8ClNO4S2/c12-7-1-3-8(4-2-7)13-19(16,17)9-5-6-18-10(9)11(14)15/h1-6,13H,(H,14,15)

InChI Key:

YRWKEEDITQJPCZ-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1)NS(=O)(=O)c1ccsc1C(=O)O

Properties

Complexity:

429

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.958g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

317.758g/mol

Monoisotopic Mass:

316.958g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

120A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Decoys for docking.	Journal of medicinal chemistry 20050602
Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase.	Structure (London, England : 1993) 20020701