4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide

C13H11N3O2S — CID 79043385

IUPAC4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncccc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H11N3O2S/c1-10-13(3-2-8-15-10)16-19(17,18)12-6-4-11(9-14)5-7-12/h2-8,16H,1H3
InChIKeyVWQUSKKNCKEQFK-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.06
Rot. Bonds3

About 4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide

4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 79043385) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID79043385
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ncccc1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C13H11N3O2S/c1-10-13(3-2-8-15-10)16-19(17,18)12-6-4-11(9-14)5-7-12/h2-8,16H,1H3
InChIKeyVWQUSKKNCKEQFK-UHFFFAOYSA-N
XLogP2.06
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide 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

4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 79041711
4-cyano-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 151982031
N-(4-bromo-2-pyridinyl)-4-cyanobenzenesulfonamide
CID 102671853
3-amino-4-hydroxy-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79042553
2-iodo-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 103962591
N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 114051867
N-(5-amino-2,4-dimethylphenyl)-4-cyanobenzenesulfonamide
CID 104757197
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
2-methyl-5-[(2-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 79042866
6-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 79043938
4-cyano-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 60640379
N'-(4-cyanophenyl)sulfonyl-4-methylbenzenesulfonohydrazide
CID 8500681

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide (CID 79043385) is 4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide is Cc1ncccc1NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is VWQUSKKNCKEQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-10-13(3-2-8-15-10)16-19(17,18)12-6-4-11(9-14)5-7-12/h2-8,16H,1H3.
What are the key properties of 4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide?
4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 273.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(2-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 79043385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).