1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide

C16H22N2O2S — CID 63997155

IUPAC1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)Cc2ccccc2C#N)C(C)C1
InChIInChI=1S/C16H22N2O2S/c1-12-7-8-16(13(2)9-12)18-21(19,20)11-15-6-4-3-5-14(15)10-17/h3-6,12-13,16,18H,7-9,11H2,1-2H3
InChIKeyHCUOHESEJWCRTE-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.80
Rot. Bonds4

About 1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide

1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide (PubChem CID 63997155) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide
PubChem CID63997155
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide
SMILESCC1CCC(NS(=O)(=O)Cc2ccccc2C#N)C(C)C1
InChIInChI=1S/C16H22N2O2S/c1-12-7-8-16(13(2)9-12)18-21(19,20)11-15-6-4-3-5-14(15)10-17/h3-6,12-13,16,18H,7-9,11H2,1-2H3
InChIKeyHCUOHESEJWCRTE-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)phenyl]-N-(2,4-dimethylcyclohexyl)methanesulfonamide
CID 63996288
1-(2-cyanophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)methanesulfonamide
CID 80720289
N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
CID 93453368
1-(2-cyanophenyl)-N-(3-ethoxycyclobutyl)methanesulfonamide
CID 102609515
1-(2-cyanophenyl)-N-(oxolan-3-yl)methanesulfonamide
CID 80713021
1-(2-cyanophenyl)-N-(1,1-dioxothian-3-yl)methanesulfonamide
CID 63922361
tert-butyl 4-[(2-cyanophenyl)methylsulfonylamino]piperidine-1-carboxylate
CID 71629903
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide
CID 63683358
1-[2-(aminomethyl)phenyl]-N-(2-methylcyclohexyl)methanesulfonamide
CID 43094907
1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide
CID 103830180
1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
CID 64912022

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide (CID 63997155) is 1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide is CC1CCC(NS(=O)(=O)Cc2ccccc2C#N)C(C)C1.
What is the InChIKey of 1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide?
The InChIKey is HCUOHESEJWCRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-12-7-8-16(13(2)9-12)18-21(19,20)11-15-6-4-3-5-14(15)10-17/h3-6,12-13,16,18H,7-9,11H2,1-2H3.
What are the key properties of 1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide?
1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide has a molecular weight of 306.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-(2,4-dimethylcyclohexyl)methanesulfonamide is sourced from PubChem (CID 63997155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).