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

C7H10F2N2O2S — CID 61124865

IUPACN-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide
SMILESN#CC1(NS(=O)(=O)C(F)F)CCCC1
InChIInChI=1S/C7H10F2N2O2S/c8-6(9)14(12,13)11-7(5-10)3-1-2-4-7/h6,11H,1-4H2
InChIKeyKJQRCHFICUXOAI-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.96
Rot. Bonds3

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

N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide (PubChem CID 61124865) has the molecular formula C7H10F2N2O2S and a molecular weight of 224.23 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide
PubChem CID61124865
Molecular FormulaC7H10F2N2O2S
Molecular Weight224.23 g/mol
Exact Mass224.04
IUPAC NameN-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide
SMILESN#CC1(NS(=O)(=O)C(F)F)CCCC1
InChIInChI=1S/C7H10F2N2O2S/c8-6(9)14(12,13)11-7(5-10)3-1-2-4-7/h6,11H,1-4H2
InChIKeyKJQRCHFICUXOAI-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-1,1-difluoromethanesulfonamide
CID 55138337
N-(2-cyanocyclopentyl)-1,1-difluoromethanesulfonamide
CID 62962898
N-(1-cyanocyclopentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059252
N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide
CID 126991400
1-Cyano-1-(methylsulfonamido)cyclopentane
CID 13799783

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide (CID 61124865) is N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide is N#CC1(NS(=O)(=O)C(F)F)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide?
The InChIKey is KJQRCHFICUXOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O2S/c8-6(9)14(12,13)11-7(5-10)3-1-2-4-7/h6,11H,1-4H2.
What are the key properties of N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide?
N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide has a molecular weight of 224.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 61124865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).