N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide

C16H22N2O2S — CID 15981831

IUPACN-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C#N)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-13-8-10-15(11-9-13)21(19,20)18-16(2,12-17)14-6-4-3-5-7-14/h8-11,14,18H,3-7H2,1-2H3
InChIKeyKFHXLKLDDFJRKH-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.14
Rot. Bonds4

About N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide

N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide (PubChem CID 15981831) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide
PubChem CID15981831
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC NameN-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C#N)C2CCCCC2)cc1
InChIInChI=1S/C16H22N2O2S/c1-13-8-10-15(11-9-13)21(19,20)18-16(2,12-17)14-6-4-3-5-7-14/h8-11,14,18H,3-7H2,1-2H3
InChIKeyKFHXLKLDDFJRKH-UHFFFAOYSA-N
XLogP3.14
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide (CID 15981831) is N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)(C#N)C2CCCCC2)cc1.
What is the InChIKey of N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide?
The InChIKey is KFHXLKLDDFJRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-13-8-10-15(11-9-13)21(19,20)18-16(2,12-17)14-6-4-3-5-7-14/h8-11,14,18H,3-7H2,1-2H3.
What are the key properties of N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide?
N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-1-cyclohexylethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 15981831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).