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28547-16-2 | Benzoic acid, 4-[(phenylsulfonyl)amino]-
CAS No: 28547-16-2 Catalog No: AG002VO2 MDL No:MFCD00531525
Product Description
Catalog Number:
AG002VO2
Chemical Name:
Benzoic acid, 4-[(phenylsulfonyl)amino]-
CAS Number:
28547-16-2
Molecular Formula:
C13H11NO4S
Molecular Weight:
277.2957
MDL Number:
MFCD00531525
IUPAC Name:
4-(benzenesulfonamido)benzoic acid
InChI:
InChI=1S/C13H11NO4S/c15-13(16)10-6-8-11(9-7-10)14-19(17,18)12-4-2-1-3-5-12/h1-9,14H,(H,15,16)
InChI Key:
YAGOYAVZOJQMRT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)NS(=O)(=O)c1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.294g/mol
Monoisotopic Mass:
277.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| 4-Benzene-sulfonamido-benzoic acid. | Acta crystallographica. Section E, Structure reports online 20091201 |
| Design and synthesis of small molecule glycerol 3-phosphate acyltransferase inhibitors. | Journal of medicinal chemistry 20090528 |
| Design and synthesis of benzoic acid derivatives as influenza neuraminidase inhibitors using structure-based drug design. | Journal of medicinal chemistry 19971205 |
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