4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide

C13H11ClN2O3S — CID 9455833

IUPAC4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C13H11ClN2O3S/c1-20(18,19)11-4-2-10(3-5-11)16-13(17)12-8-9(14)6-7-15-12/h2-8H,1H3,(H,16,17)
InChIKeyNNPGWZDTSULRJJ-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.39
Rot. Bonds3

About 4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide

4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide (PubChem CID 9455833) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is 4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
PubChem CID9455833
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1
InChIInChI=1S/C13H11ClN2O3S/c1-20(18,19)11-4-2-10(3-5-11)16-13(17)12-8-9(14)6-7-15-12/h2-8H,1H3,(H,16,17)
InChIKeyNNPGWZDTSULRJJ-UHFFFAOYSA-N
XLogP2.39
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
CID 113290191
6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413
4-chloro-N-quinoxalin-6-ylpyridine-2-carboxamide
CID 47254903
2-bromo-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 103756372
5-amino-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81319188
4-chloro-N-hydroxypyridine-2-carboxamide
CID 83381234
4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
2,3-difluoro-N-(4-methylsulfonylphenyl)pyridine-4-carboxamide
CID 105380278
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55781667
4,6-dimethyl-N-(4-methylsulfonylphenyl)pyrimidine-2-carboxamide
CID 146080206
2-bromo-5-[(4-chloropyridine-2-carbonyl)amino]benzoic acid
CID 115295635

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide (CID 9455833) is 4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide is CS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1.
What is the InChIKey of 4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide?
The InChIKey is NNPGWZDTSULRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-20(18,19)11-4-2-10(3-5-11)16-13(17)12-8-9(14)6-7-15-12/h2-8H,1H3,(H,16,17).
What are the key properties of 4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide?
4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide has a molecular weight of 310.76 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methylsulfonylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 9455833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).