N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide

C7H10F2N2O2S — CID 62962898

IUPACN-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H10F2N2O2S/c8-7(9)14(12,13)11-6-3-1-2-5(6)4-10/h5-7,11H,1-3H2
InChIKeyONCZBSQEYZKHMR-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.82
Rot. Bonds3

About N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide

N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide (PubChem CID 62962898) has the molecular formula C7H10F2N2O2S and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide
PubChem CID62962898
Molecular FormulaC7H10F2N2O2S
Molecular Weight224.23 g/mol
Exact Mass224.04
IUPAC NameN-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)C(F)F
InChIInChI=1S/C7H10F2N2O2S/c8-7(9)14(12,13)11-6-3-1-2-5(6)4-10/h5-7,11H,1-3H2
InChIKeyONCZBSQEYZKHMR-UHFFFAOYSA-N
XLogP0.82
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide (CID 62962898) is N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide is N#CC1CCCC1NS(=O)(=O)C(F)F.
What is the InChIKey of N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide?
The InChIKey is ONCZBSQEYZKHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2S/c8-7(9)14(12,13)11-6-3-1-2-5(6)4-10/h5-7,11H,1-3H2.
What are the key properties of N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide?
N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide has a molecular weight of 224.23 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62962898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).