5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H13ClN2O3S — CID 64608237

IUPAC5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)c(C)c1
InChIInChI=1S/C13H13ClN2O3S/c1-8-3-4-12(9(2)5-8)16-20(18,19)10-6-11(14)13(17)15-7-10/h3-7,16H,1-2H3,(H,15,17)
InChIKeyDJNCERHDSUDXPT-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.45
Rot. Bonds3

About 5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64608237) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64608237
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)c(C)c1
InChIInChI=1S/C13H13ClN2O3S/c1-8-3-4-12(9(2)5-8)16-20(18,19)10-6-11(14)13(17)15-7-10/h3-7,16H,1-2H3,(H,15,17)
InChIKeyDJNCERHDSUDXPT-UHFFFAOYSA-N
XLogP2.45
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607321
5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606531
4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701
5-chloro-N-(2,6-dibromo-4-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608816
N-(2-bromo-3-chlorophenyl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 103481116
3-amino-5-chloro-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 29298879
5-chloro-N-(2,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606342
5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607514
5-chloro-N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607480
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 115378925
5-chloro-N-(1-methylcyclobutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113485860

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64608237) is 5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2c[nH]c(=O)c(Cl)c2)c(C)c1.
What is the InChIKey of 5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is DJNCERHDSUDXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-8-3-4-12(9(2)5-8)16-20(18,19)10-6-11(14)13(17)15-7-10/h3-7,16H,1-2H3,(H,15,17).
What are the key properties of 5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64608237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).