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10252-63-8 | Benzoic acid, 4-[(methylamino)sulfonyl]-
CAS No: 10252-63-8 Catalog No: AG0007NQ MDL No:MFCD05804382
Product Description
Catalog Number:
AG0007NQ
Chemical Name:
Benzoic acid, 4-[(methylamino)sulfonyl]-
CAS Number:
10252-63-8
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD05804382
IUPAC Name:
4-(methylsulfamoyl)benzoic acid
InChI:
InChI=1S/C8H9NO4S/c1-9-14(12,13)7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11)
InChI Key:
PAOYGUDKABVANA-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc(cc1)C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| 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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