Name: Name:4-chloro-3-{[(4-sulfamoylphenyl)methyl]sulfamoyl}benzoic acid
Brand: Angene
SKU: AG019OYF
Rating: 90 (10 reviews)

4-chloro-3-{[(4-sulfamoylphenyl)methyl]sulfamoyl}benzoic acid

CAS No.:

794573-84-5

Catalog Number:

AG019OYF

Molecular Formula:

C14H13ClN2O6S2

Molecular Weight:

404.8458

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Product Description

Catalog Number:

AG019OYF

Chemical Name:

4-chloro-3-{[(4-sulfamoylphenyl)methyl]sulfamoyl}benzoic acid

CAS Number:

794573-84-5

Molecular Formula:

C14H13ClN2O6S2

Molecular Weight:

404.8458

MDL Number:

MFCD06367429

IUPAC Name:

4-chloro-3-[(4-sulfamoylphenyl)methylsulfamoyl]benzoic acid

InChI:

InChI=1S/C14H13ClN2O6S2/c15-12-6-3-10(14(18)19)7-13(12)25(22,23)17-8-9-1-4-11(5-2-9)24(16,20)21/h1-7,17H,8H2,(H,18,19)(H2,16,20,21)

InChI Key:

VFBBWVHYYRJPCK-UHFFFAOYSA-N

SMILES:

Clc1ccc(cc1S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)N)C(=O)O

Properties

Complexity:

677

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

403.99g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

404.836g/mol

Monoisotopic Mass:

403.99g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

160A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501