1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide

C15H20N2O3S — CID 64912022

IUPAC1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C15H20N2O3S/c16-9-12-5-1-2-7-14(12)11-21(19,20)17-10-13-6-3-4-8-15(13)18/h1-2,5,7,13,15,17-18H,3-4,6,8,10-11H2
InChIKeyGRSJSKWOZZFOMP-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.53
Rot. Bonds5

About 1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide

1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide (PubChem CID 64912022) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
PubChem CID64912022
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide
SMILESN#Cc1ccccc1CS(=O)(=O)NCC1CCCCC1O
InChIInChI=1S/C15H20N2O3S/c16-9-12-5-1-2-7-14(12)11-21(19,20)17-10-13-6-3-4-8-15(13)18/h1-2,5,7,13,15,17-18H,3-4,6,8,10-11H2
InChIKeyGRSJSKWOZZFOMP-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(2-cyanophenyl)methanesulfonamide
CID 63683358
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
N-[(1R,2R)-2-aminocyclohexyl]-1-(2-cyanophenyl)methanesulfonamide
CID 93453368
1-(2-cyanophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 60734497
1-(2-cyanophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972605
3-[(2-cyanophenyl)methylsulfonylamino]propanamide
CID 43553730
1-[[(2-cyanophenyl)methylsulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445360
1-(2-cyanophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)methanesulfonamide
CID 115360457
1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide
CID 60682897
1-(2-cyanophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]methanesulfonamide
CID 103830180
1-(2-cyanophenyl)-N-(1,1-dioxothian-3-yl)methanesulfonamide
CID 63922361
1-(2-cyanophenyl)-N-[(1-ethylcyclopentyl)methyl]methanesulfonamide
CID 103830233

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide (CID 64912022) is 1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide is N#Cc1ccccc1CS(=O)(=O)NCC1CCCCC1O.
What is the InChIKey of 1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide?
The InChIKey is GRSJSKWOZZFOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c16-9-12-5-1-2-7-14(12)11-21(19,20)17-10-13-6-3-4-8-15(13)18/h1-2,5,7,13,15,17-18H,3-4,6,8,10-11H2.
What are the key properties of 1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide?
1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyanophenyl)-N-[(2-hydroxycyclohexyl)methyl]methanesulfonamide is sourced from PubChem (CID 64912022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).