Name: Name:3-([(Pyridin-3-ylmethyl)amino]sulfonyl)benzoic acid
Brand: Angene
SKU: AG00ICDX
Rating: 90 (10 reviews)

3-([(Pyridin-3-ylmethyl)amino]sulfonyl)benzoic acid

CAS No.:

733031-16-8

Catalog Number:

AG00ICDX

Molecular Formula:

C13H12N2O4S

Molecular Weight:

292.3104

Catalog Number:

AG00ICDX

Chemical Name:

3-([(Pyridin-3-ylmethyl)amino]sulfonyl)benzoic acid

CAS Number:

733031-16-8

Molecular Formula:

C13H12N2O4S

Molecular Weight:

292.3104

MDL Number:

MFCD04635926

IUPAC Name:

3-(pyridin-3-ylmethylsulfamoyl)benzoic acid

InChI:

InChI=1S/C13H12N2O4S/c16-13(17)11-4-1-5-12(7-11)20(18,19)15-9-10-3-2-6-14-8-10/h1-8,15H,9H2,(H,16,17)

InChI Key:

NWCVQSMJDGOZBY-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccc(c1)S(=O)(=O)NCc1cccnc1

Complexity:

432

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

292.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

292.309g/mol

Monoisotopic Mass:

292.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

105A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8