5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

C13H13ClN2O3S — CID 64606531

IUPAC5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-2-9-5-3-4-6-12(9)16-20(18,19)10-7-11(14)13(17)15-8-10/h3-8,16H,2H2,1H3,(H,15,17)
InChIKeyVFHKZUPTCBQTGX-UHFFFAOYSA-N
MW312.78 g/mol
LogP2.39
Rot. Bonds4

About 5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606531) has the molecular formula C13H13ClN2O3S and a molecular weight of 312.78 g/mol. Its IUPAC name is 5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606531
Molecular FormulaC13H13ClN2O3S
Molecular Weight312.78 g/mol
Exact Mass312.03
IUPAC Name5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCCc1ccccc1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C13H13ClN2O3S/c1-2-9-5-3-4-6-12(9)16-20(18,19)10-7-11(14)13(17)15-8-10/h3-8,16H,2H2,1H3,(H,15,17)
InChIKeyVFHKZUPTCBQTGX-UHFFFAOYSA-N
XLogP2.39
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.78
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[2-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607514
N-(2-bromo-3-chlorophenyl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 103481116
5-chloro-N-(2,4-dimethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608237
5-chloro-N-(2,6-difluorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606342
5-chloro-N-(4-iodo-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607321
5-chloro-N-(2-ethylphenyl)-6-hydrazinylpyridine-3-sulfonamide
CID 64609120
5-chloro-N-(3,4-dichlorophenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607480
5-chloro-N-[3-(hydroxymethyl)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607130
5-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606352
3-chloro-N-(2-ethylphenyl)-4-methyl-5-nitrobenzenesulfonamide
CID 8515892
5-chloro-N-[3-(dimethylamino)phenyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 115378925
4-chloro-N-(2-ethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 22773817

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606531) is 5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is CCc1ccccc1NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is VFHKZUPTCBQTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3S/c1-2-9-5-3-4-6-12(9)16-20(18,19)10-7-11(14)13(17)15-8-10/h3-8,16H,2H2,1H3,(H,15,17).
What are the key properties of 5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 312.78 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethylphenyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).