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Home > Pyridines > 113513-61-4
113513-61-4 | 3-Pyridinecarboxamide, N-[(4-methylphenyl)sulfonyl]-
CAS No: 113513-61-4 Catalog No: AG0008U3 MDL No:
Product Description
Catalog Number:
AG0008U3
Chemical Name:
3-Pyridinecarboxamide, N-[(4-methylphenyl)sulfonyl]-
CAS Number:
113513-61-4
Molecular Formula:
C13H12N2O3S
Molecular Weight:
276.3110
IUPAC Name:
N-(4-methylphenyl)sulfonylpyridine-3-carboxamide
InChI:
InChI=1S/C13H12N2O3S/c1-10-4-6-12(7-5-10)19(17,18)15-13(16)11-3-2-8-14-9-11/h2-9H,1H3,(H,15,16)
InChI Key:
WCMNIGILCBJFMB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccnc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.31g/mol
Monoisotopic Mass:
276.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Design, synthesis and biological evaluation of N-phenylsulfonylnicotinamide derivatives as novel antitumor inhibitors. | Bioorganic & medicinal chemistry 20120215 |
| Design, synthesis and biological evaluation of pyridine acyl sulfonamide derivatives as novel COX-2 inhibitors. | Bioorganic & medicinal chemistry 20111115 |
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