2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide

C14H13N3O2S — CID 62309272

IUPAC2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccccc2C#N)n1
InChIInChI=1S/C14H13N3O2S/c1-11-5-4-7-13(17-11)10-16-20(18,19)14-8-3-2-6-12(14)9-15/h2-8,16H,10H2,1H3
InChIKeyHBLRDOUVCFRWHD-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.74
Rot. Bonds4

About 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide

2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (PubChem CID 62309272) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
PubChem CID62309272
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cccc(CNS(=O)(=O)c2ccccc2C#N)n1
InChIInChI=1S/C14H13N3O2S/c1-11-5-4-7-13(17-11)10-16-20(18,19)14-8-3-2-6-12(14)9-15/h2-8,16H,10H2,1H3
InChIKeyHBLRDOUVCFRWHD-UHFFFAOYSA-N
XLogP1.74
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]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

2-cyano-N-[(6-methyl-2-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106545620
2-cyano-N-(quinolin-2-ylmethyl)benzenesulfonamide
CID 110734145
2-cyano-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 2572565
2-cyano-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 60729128
2-cyano-N-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]benzenesulfonamide
CID 110873488
2-cyano-N-[(5-methylthiophen-2-yl)methyl]benzenesulfonamide
CID 62057216
2-cyano-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 110739071
4-tert-butyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 139174842
2-cyano-N-prop-2-ynylbenzenesulfonamide
CID 9356113
2-cyano-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 26948091
4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106996904
2-cyano-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113320190

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide (CID 62309272) is 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is Cc1cccc(CNS(=O)(=O)c2ccccc2C#N)n1.
What is the InChIKey of 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is HBLRDOUVCFRWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-11-5-4-7-13(17-11)10-16-20(18,19)14-8-3-2-6-12(14)9-15/h2-8,16H,10H2,1H3.
What are the key properties of 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide?
2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 62309272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).