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Home > Pyridines > 113513-63-6
113513-63-6 | 3-Pyridinecarboxamide, 2-chloro-N-[(4-methylphenyl)sulfonyl]-
CAS No: 113513-63-6 Catalog No: AG0008U2 MDL No:
Product Description
Catalog Number:
AG0008U2
Chemical Name:
3-Pyridinecarboxamide, 2-chloro-N-[(4-methylphenyl)sulfonyl]-
CAS Number:
113513-63-6
Molecular Formula:
C13H11ClN2O3S
Molecular Weight:
310.7560
IUPAC Name:
2-chloro-N-(4-methylphenyl)sulfonylpyridine-3-carboxamide
InChI:
InChI=1S/C13H11ClN2O3S/c1-9-4-6-10(7-5-9)20(18,19)16-13(17)11-3-2-8-15-12(11)14/h2-8H,1H3,(H,16,17)
InChI Key:
ZDXJEAOWBMHNTI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)NC(=O)c1cccnc1Cl
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.018g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
310.752g/mol
Monoisotopic Mass:
310.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Design, synthesis and biological evaluation of N-phenylsulfonylnicotinamide derivatives as novel antitumor inhibitors. | Bioorganic & medicinal chemistry 20120215 |
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