1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide

C15H20N2O3S — CID 62519734

IUPAC1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NC2(CO)CCCCC2)c1
InChIInChI=1S/C15H20N2O3S/c16-10-13-5-4-6-14(9-13)11-21(19,20)17-15(12-18)7-2-1-3-8-15/h4-6,9,17-18H,1-3,7-8,11-12H2
InChIKeyJBFIQMSFCCSXBN-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.67
Rot. Bonds5

About 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide

1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide (PubChem CID 62519734) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide
PubChem CID62519734
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide
SMILESN#Cc1cccc(CS(=O)(=O)NC2(CO)CCCCC2)c1
InChIInChI=1S/C15H20N2O3S/c16-10-13-5-4-6-14(9-13)11-21(19,20)17-15(12-18)7-2-1-3-8-15/h4-6,9,17-18H,1-3,7-8,11-12H2
InChIKeyJBFIQMSFCCSXBN-UHFFFAOYSA-N
XLogP1.67
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclobutyl]methanesulfonamide
CID 115902984
ethyl 1-[(3-cyanophenyl)methylsulfonylamino]cyclopentane-1-carboxylate
CID 86839237
(3-cyanophenyl)methanesulfonohydrazide
CID 43476897
N-[1-(hydroxymethyl)cyclohexyl]-2-phenylethanesulfonamide
CID 62519905
1-[(4-cyanophenyl)methylsulfonylamino]cyclohexane-1-carboxylic acid
CID 153387625
1-(3-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115363084
1-[(3-cyanophenyl)methylamino]cyclopentane-1-carboxylic acid
CID 114994248
1-(3-cyanophenyl)-N-[(2R)-2-hydroxypropyl]methanesulfonamide
CID 83029588
1-(3-cyanophenyl)-N-(2-methylprop-2-enyl)methanesulfonamide
CID 114616443
3-[[(1-hydroxycyclohexyl)methylamino]methyl]benzonitrile
CID 54936607
3-[(1-methylcyclopentyl)sulfamoylmethyl]benzoic acid
CID 61365990
1-(3-cyanophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)methanesulfonamide
CID 115754866

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide (CID 62519734) is 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide is N#Cc1cccc(CS(=O)(=O)NC2(CO)CCCCC2)c1.
What is the InChIKey of 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide?
The InChIKey is JBFIQMSFCCSXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-10-13-5-4-6-14(9-13)11-21(19,20)17-15(12-18)7-2-1-3-8-15/h4-6,9,17-18H,1-3,7-8,11-12H2.
What are the key properties of 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide?
1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-N-[1-(hydroxymethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 62519734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).