Home Sulfos Benzoic acid, 4-[(8-quinolinylsulfonyl)amino]-

Benzoic acid, 4-[(8-quinolinylsulfonyl)amino]-

CAS No.:
116834-64-1
Catalog Number:
AG000DA2
Molecular Formula:
C16H12N2O4S
Molecular Weight:
328.3425
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Product Description
Catalog Number:
AG000DA2
Chemical Name:
Benzoic acid, 4-[(8-quinolinylsulfonyl)amino]-
CAS Number:
116834-64-1
Molecular Formula:
C16H12N2O4S
Molecular Weight:
328.3425
MDL Number:
MFCD00601229
IUPAC Name:
4-(quinolin-8-ylsulfonylamino)benzoic acid
InChI:
InChI=1S/C16H12N2O4S/c19-16(20)12-6-8-13(9-7-12)18-23(21,22)14-5-1-3-11-4-2-10-17-15(11)14/h1-10,18H,(H,19,20)
InChI Key:
NBQVTLMGAPBCJA-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)NS(=O)(=O)c1cccc2c1nccc2
Properties
Complexity:
523  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.052g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
328.342g/mol
Monoisotopic Mass:
328.052g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
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
Properties