N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide

C15H20N2O2S — CID 62268773

IUPACN-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide
SMILESN#Cc1ccc(CNS(=O)(=O)CC2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c16-10-13-6-8-14(9-7-13)11-17-20(18,19)12-15-4-2-1-3-5-15/h6-9,15,17H,1-5,11-12H2
InChIKeyNWECFQSRLOZECY-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.56
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide

N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide (PubChem CID 62268773) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide
PubChem CID62268773
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide
SMILESN#Cc1ccc(CNS(=O)(=O)CC2CCCCC2)cc1
InChIInChI=1S/C15H20N2O2S/c16-10-13-6-8-14(9-7-13)11-17-20(18,19)12-15-4-2-1-3-5-15/h6-9,15,17H,1-5,11-12H2
InChIKeyNWECFQSRLOZECY-UHFFFAOYSA-N
XLogP2.56
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyanophenyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 62733317
N-[(4-cyanophenyl)methyl]-2-hydroxyethanesulfonamide
CID 79578689
1-cyclopropyl-N-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]methanesulfonamide
CID 64989407
N-[(4-cyanophenyl)methyl]-3-methylbutane-1-sulfonamide
CID 55261185
4-(cyclopentylmethoxymethyl)benzonitrile
CID 66323484
N-[(4-cyanophenyl)methyl]-4-cyclohexyl-3-methylbutanamide
CID 20814841
N-(2-bromocyclohexyl)-1-(4-cyanophenyl)methanesulfonamide
CID 106441026
1-(4-cyanophenyl)-N-[2-(cyclopropylamino)ethyl]methanesulfonamide
CID 62664800
1-(4-cyanophenyl)-N-(1H-pyrrol-3-ylmethyl)methanesulfonamide
CID 106384997
5-[(cyclopentylmethylsulfonylamino)methyl]-N,N-dimethylfuran-2-carboxamide
CID 122557042
1-cyclopentyl-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 121497367
N-[(5-cyano-3-pyridinyl)methyl]-1-[(1S)-3,3-difluorocyclohexyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide (CID 62268773) is N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide is N#Cc1ccc(CNS(=O)(=O)CC2CCCCC2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide?
The InChIKey is NWECFQSRLOZECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c16-10-13-6-8-14(9-7-13)11-17-20(18,19)12-15-4-2-1-3-5-15/h6-9,15,17H,1-5,11-12H2.
What are the key properties of N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide?
N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide has a molecular weight of 292.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 62268773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).