2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide

C14H18N2O2S — CID 43176222

IUPAC2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H18N2O2S/c1-11-6-2-4-8-13(11)16-19(17,18)14-9-5-3-7-12(14)10-15/h3,5,7,9,11,13,16H,2,4,6,8H2,1H3
InChIKeyUVPOMGMEOQWJSH-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.42
Rot. Bonds3

About 2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide

2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide (PubChem CID 43176222) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
PubChem CID43176222
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCCC1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H18N2O2S/c1-11-6-2-4-8-13(11)16-19(17,18)14-9-5-3-7-12(14)10-15/h3,5,7,9,11,13,16H,2,4,6,8H2,1H3
InChIKeyUVPOMGMEOQWJSH-UHFFFAOYSA-N
XLogP2.42
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide
CID 93453364
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
CID 103835706
2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 115753517
2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653370
2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 103864178
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
4-bromo-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116311
2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43215397
2-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178607
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
4-chloro-N-[(1R,2S)-2-methylcyclohexyl]naphthalene-1-sulfonamide
CID 39116315

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide (CID 43176222) is 2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide is CC1CCCCC1NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide?
The InChIKey is UVPOMGMEOQWJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-11-6-2-4-8-13(11)16-19(17,18)14-9-5-3-7-12(14)10-15/h3,5,7,9,11,13,16H,2,4,6,8H2,1H3.
What are the key properties of 2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide?
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide has a molecular weight of 278.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 43176222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).