Name: Name:3-[(3-nitrophenyl)sulfamoyl]thiophene-2-carboxylic acid
Brand: Angene
SKU: AG01BUOR
Rating: 90 (10 reviews)

3-[(3-nitrophenyl)sulfamoyl]thiophene-2-carboxylic acid

CAS No.:

850635-41-5

Catalog Number:

AG01BUOR

Molecular Formula:

C11H8N2O6S2

Molecular Weight:

328.3210

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Product Description

Catalog Number:

AG01BUOR

Chemical Name:

3-[(3-nitrophenyl)sulfamoyl]thiophene-2-carboxylic acid

CAS Number:

850635-41-5

Molecular Formula:

C11H8N2O6S2

Molecular Weight:

328.3210

MDL Number:

MFCD13630283

IUPAC Name:

3-[(3-nitrophenyl)sulfamoyl]thiophene-2-carboxylic acid

InChI:

InChI=1S/C11H8N2O6S2/c14-11(15)10-9(4-5-20-10)21(18,19)12-7-2-1-3-8(6-7)13(16)17/h1-6,12H,(H,14,15)

InChI Key:

CITCNTPVKZFUAJ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc(c1)NS(=O)(=O)c1ccsc1C(=O)O

Properties

Complexity:

512

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

327.982g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

328.313g/mol

Monoisotopic Mass:

327.982g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

166A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
Structure-based optimization of a non-beta-lactam lead results in inhibitors that do not up-regulate beta-lactamase expression in cell culture.	Journal of the American Chemical Society 20050406