1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide

C7H11ClN2O2S — CID 63666238

IUPAC1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)CCl
InChIInChI=1S/C7H11ClN2O2S/c8-5-13(11,12)10-7-3-1-2-6(7)4-9/h6-7,10H,1-3,5H2
InChIKeyXPIQGULDYPVVAL-UHFFFAOYSA-N
MW222.70 g/mol
LogP0.79
Rot. Bonds3

About 1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide

1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide (PubChem CID 63666238) has the molecular formula C7H11ClN2O2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
PubChem CID63666238
Molecular FormulaC7H11ClN2O2S
Molecular Weight222.70 g/mol
Exact Mass222.02
IUPAC Name1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide
SMILESN#CC1CCCC1NS(=O)(=O)CCl
InChIInChI=1S/C7H11ClN2O2S/c8-5-13(11,12)10-7-3-1-2-6(7)4-9/h6-7,10H,1-3,5H2
InChIKeyXPIQGULDYPVVAL-UHFFFAOYSA-N
XLogP0.79
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide (CID 63666238) is 1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide is N#CC1CCCC1NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide?
The InChIKey is XPIQGULDYPVVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O2S/c8-5-13(11,12)10-7-3-1-2-6(7)4-9/h6-7,10H,1-3,5H2.
What are the key properties of 1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide?
1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide has a molecular weight of 222.70 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-cyanocyclopentyl)methanesulfonamide is sourced from PubChem (CID 63666238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).