6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide

C13H13ClN2O2S — CID 4729843

IUPAC6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H13ClN2O2S/c1-9-3-4-10(2)12(7-9)16-19(17,18)11-5-6-13(14)15-8-11/h3-8,16H,1-2H3
InChIKeyNPSIJGQCWUXQER-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.15
Rot. Bonds3

About 6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide

6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide (PubChem CID 4729843) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
PubChem CID4729843
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide
SMILESCc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H13ClN2O2S/c1-9-3-4-10(2)12(7-9)16-19(17,18)11-5-6-13(14)15-8-11/h3-8,16H,1-2H3
InChIKeyNPSIJGQCWUXQER-UHFFFAOYSA-N
XLogP3.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-N-(2,5-dimethylphenyl)pyridine-3-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

3-[(6-chloro-3-pyridinyl)sulfonylamino]-4-methylbenzoate
CID 7940712
6-chloro-N-(3,4-dimethylphenyl)pyridine-3-sulfonamide
CID 4729839
6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 47298745
6-chloro-N-(4-iodo-2-methylphenyl)pyridine-3-sulfonamide
CID 47104374
6-chloro-N-(3-iodo-4-methylphenyl)pyridine-3-sulfonamide
CID 26950537
6-amino-N-(2-chloro-5-methylphenyl)pyridine-3-sulfonamide
CID 107624515
N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500
N-(2-chloro-5-methylphenyl)-6-(methylamino)pyridine-3-sulfonamide
CID 107630560
N-(5-bromo-2-methylphenyl)-2-chloropyrimidine-5-sulfonamide
CID 43805950
N-(2,5-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104321
6-chloro-N-[3-(dimethylsulfamoyl)-4-methylphenyl]pyridine-3-sulfonamide
CID 4875200

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide (CID 4729843) is 6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide is Cc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of 6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide?
The InChIKey is NPSIJGQCWUXQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-9-3-4-10(2)12(7-9)16-19(17,18)11-5-6-13(14)15-8-11/h3-8,16H,1-2H3.
What are the key properties of 6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide?
6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide has a molecular weight of 296.78 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,5-dimethylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 4729843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).