N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide

C13H11ClN2O3S — CID 2683694

IUPACN-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H11ClN2O3S/c1-9(17)11-4-2-3-5-12(11)16-20(18,19)10-6-7-13(14)15-8-10/h2-8,16H,1H3
InChIKeyOSWPKZLDDQHABA-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.74
Rot. Bonds4

About N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide

N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide (PubChem CID 2683694) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
PubChem CID2683694
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC NameN-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide
SMILESCC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)nc1
InChIInChI=1S/C13H11ClN2O3S/c1-9(17)11-4-2-3-5-12(11)16-20(18,19)10-6-7-13(14)15-8-10/h2-8,16H,1H3
InChIKeyOSWPKZLDDQHABA-UHFFFAOYSA-N
XLogP2.74
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(6-chloro-3-pyridinyl)sulfonylamino]-N-(2,4-dimethoxyphenyl)benzamide
CID 2683748
6-chloro-N-naphthalen-1-ylpyridine-3-sulfonamide
CID 4729879
6-chloro-N-phenylpyridine-3-sulfonamide
CID 4729892
N-(2-acetylphenyl)-2-chloropyridine-3-sulfonamide
CID 24621346
N-(2-bromo-3-chlorophenyl)-6-chloropyridine-3-sulfonamide
CID 103478832
6-chloro-N-[2-(dimethylamino)-3-pyridinyl]pyridine-3-sulfonamide
CID 61053645
N-(2-acetylphenyl)-4-chloro-3-nitrobenzenesulfonamide
CID 4270377
N-(4-acetyl-6-chloro-3-pyridinyl)-4-aminobenzenesulfonamide
CID 89091150
N-(2-acetylphenyl)-3-methylbenzenesulfonamide
CID 24694730
6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 47298745
3-[(6-chloro-3-pyridinyl)sulfonylamino]-4-methylbenzoate
CID 7940712
N-(4-acetyl-1,3-thiazol-2-yl)-6-chloropyridine-3-sulfonamide
CID 62997780

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide?
The IUPAC name of N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide (CID 2683694) is N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide.
What is the SMILES notation for N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide?
The canonical SMILES for N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide is CC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)nc1.
What is the InChIKey of N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide?
The InChIKey is OSWPKZLDDQHABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c1-9(17)11-4-2-3-5-12(11)16-20(18,19)10-6-7-13(14)15-8-10/h2-8,16H,1H3.
What are the key properties of N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide?
N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide has a molecular weight of 310.76 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-6-chloropyridine-3-sulfonamide is sourced from PubChem (CID 2683694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).