2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide

C12H11ClN2O2S — CID 54895572

IUPAC2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccnc(Cl)c2)c1
InChIInChI=1S/C12H11ClN2O2S/c1-9-3-2-4-10(7-9)15-18(16,17)11-5-6-14-12(13)8-11/h2-8,15H,1H3
InChIKeyVZLBBMIEJIEEEV-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.84
Rot. Bonds3

About 2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide

2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide (PubChem CID 54895572) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
PubChem CID54895572
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide
SMILESCc1cccc(NS(=O)(=O)c2ccnc(Cl)c2)c1
InChIInChI=1S/C12H11ClN2O2S/c1-9-3-2-4-10(7-9)15-18(16,17)11-5-6-14-12(13)8-11/h2-8,15H,1H3
InChIKeyVZLBBMIEJIEEEV-UHFFFAOYSA-N
XLogP2.84
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-N-(3-methylphenyl)pyridine-4-sulfonamide
CID 55044083
2-chloro-N-(2,6-dibromo-4-methylphenyl)pyridine-4-sulfonamide
CID 61004569
2-chloro-N-(3-chloro-2-methylphenyl)pyridine-4-sulfonamide
CID 54895530
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
3-(3,4-dichlorophenyl)sulfonyl-N-(3-methylphenyl)benzenesulfonamide
CID 1101032
2-chloro-N-(2-fluoro-4-methylphenyl)pyridine-4-sulfonamide
CID 54896062
2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-4-sulfonamide
CID 107573404
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61053156
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
2-chloro-N-(4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61003549
2-chloro-N-(3-chloro-4-ethoxyphenyl)pyridine-4-sulfonamide
CID 61041107

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide (CID 54895572) is 2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide is Cc1cccc(NS(=O)(=O)c2ccnc(Cl)c2)c1.
What is the InChIKey of 2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide?
The InChIKey is VZLBBMIEJIEEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-9-3-2-4-10(7-9)15-18(16,17)11-5-6-14-12(13)8-11/h2-8,15H,1H3.
What are the key properties of 2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide?
2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylphenyl)pyridine-4-sulfonamide is sourced from PubChem (CID 54895572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).