3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide

C15H20N2O2S — CID 43176217

IUPAC3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cccc(C#N)c2)C1C
InChIInChI=1S/C15H20N2O2S/c1-11-5-3-8-15(12(11)2)17-20(18,19)14-7-4-6-13(9-14)10-16/h4,6-7,9,11-12,15,17H,3,5,8H2,1-2H3
InChIKeyXIIZPFSITDJMSI-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.66
Rot. Bonds3

About 3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide

3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 43176217) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
PubChem CID43176217
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2cccc(C#N)c2)C1C
InChIInChI=1S/C15H20N2O2S/c1-11-5-3-8-15(12(11)2)17-20(18,19)14-7-4-6-13(9-14)10-16/h4,6-7,9,11-12,15,17H,3,5,8H2,1-2H3
InChIKeyXIIZPFSITDJMSI-UHFFFAOYSA-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

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Related Compounds

4-cyano-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11928439
3-cyano-N-(2-cyanocyclopentyl)benzenesulfonamide
CID 62961811
3-cyano-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 104922365
3-cyano-N-(4-methylcycloheptyl)benzenesulfonamide
CID 102794968
3-acetyl-N-(2,3-dimethylcyclohexyl)benzenesulfonamide
CID 43081984
3-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]sulfamoyl]benzoate
CID 11916136
3-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64921082
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
3-cyano-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzamide
CID 11920013
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-sulfonamide
CID 55044375
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11880721

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide (CID 43176217) is 3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide is CC1CCCC(NS(=O)(=O)c2cccc(C#N)c2)C1C.
What is the InChIKey of 3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is XIIZPFSITDJMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-11-5-3-8-15(12(11)2)17-20(18,19)14-7-4-6-13(9-14)10-16/h4,6-7,9,11-12,15,17H,3,5,8H2,1-2H3.
What are the key properties of 3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide?
3-cyano-N-(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 3-cyano-N-(2,3-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 43176217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).