4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide

C15H20N2O2S — CID 11928439

IUPAC4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2S/c1-11-4-3-5-15(12(11)2)17-20(18,19)14-8-6-13(10-16)7-9-14/h6-9,11-12,15,17H,3-5H2,1-2H3/t11-,12+,15+/m0/s1
InChIKeyNPMLIZFUZREJFF-YWPYICTPSA-N
MW292.40 g/mol
LogP2.66
Rot. Bonds3

About 4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide

4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide (PubChem CID 11928439) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
PubChem CID11928439
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
SMILESC[C@@H]1[C@@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H20N2O2S/c1-11-4-3-5-15(12(11)2)17-20(18,19)14-8-6-13(10-16)7-9-14/h6-9,11-12,15,17H,3-5H2,1-2H3/t11-,12+,15+/m0/s1
InChIKeyNPMLIZFUZREJFF-YWPYICTPSA-N
XLogP2.66
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]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

3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43176217
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
N-(2-bromocyclopentyl)-4-cyanobenzenesulfonamide
CID 80662442
4-(difluoromethylsulfonyl)-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 42958006
4-(difluoromethylsulfonyl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 98672836
4-cyano-N-cyclobutylbenzenesulfonamide
CID 25047960
4-[(2,3-dimethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 43102649
4-[(2,3-dimethylcyclohexyl)amino]benzonitrile
CID 43079582
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-4-cyanobenzenesulfonamide
CID 97056156
4-cyano-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107418696
6-chloro-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]pyridine-3-sulfonamide
CID 124835688

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide?
The IUPAC name of 4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide (CID 11928439) is 4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide is C[C@@H]1[C@@H](C)CCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide?
The InChIKey is NPMLIZFUZREJFF-YWPYICTPSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-4-3-5-15(12(11)2)17-20(18,19)14-8-6-13(10-16)7-9-14/h6-9,11-12,15,17H,3-5H2,1-2H3/t11-,12+,15+/m0/s1.
What are the key properties of 4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide?
4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 11928439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).