2-cyclopentylideneethanesulfonyl chloride

C7H11ClO2S — CID 84665838

IUPAC2-cyclopentylideneethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC=C1CCCC1
InChIInChI=1S/C7H11ClO2S/c8-11(9,10)6-5-7-3-1-2-4-7/h5H,1-4,6H2
InChIKeyFHOOPOPHGVRPPU-UHFFFAOYSA-N
MW194.68 g/mol
LogP2.06
Rot. Bonds2

About 2-cyclopentylideneethanesulfonyl chloride

2-cyclopentylideneethanesulfonyl chloride (PubChem CID 84665838) has the molecular formula C7H11ClO2S and a molecular weight of 194.68 g/mol. Its IUPAC name is 2-cyclopentylideneethanesulfonyl chloride.

Molecular Properties

Compound Name2-cyclopentylideneethanesulfonyl chloride
PubChem CID84665838
Molecular FormulaC7H11ClO2S
Molecular Weight194.68 g/mol
Exact Mass194.02
IUPAC Name2-cyclopentylideneethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC=C1CCCC1
InChIInChI=1S/C7H11ClO2S/c8-11(9,10)6-5-7-3-1-2-4-7/h5H,1-4,6H2
InChIKeyFHOOPOPHGVRPPU-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.68
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclopentylideneethanesulfonyl chloride 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 2-cyclopentylideneethanesulfonyl chloride?
The IUPAC name of 2-cyclopentylideneethanesulfonyl chloride (CID 84665838) is 2-cyclopentylideneethanesulfonyl chloride.
What is the SMILES notation for 2-cyclopentylideneethanesulfonyl chloride?
The canonical SMILES for 2-cyclopentylideneethanesulfonyl chloride is O=S(=O)(Cl)CC=C1CCCC1.
What is the InChIKey of 2-cyclopentylideneethanesulfonyl chloride?
The InChIKey is FHOOPOPHGVRPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2S/c8-11(9,10)6-5-7-3-1-2-4-7/h5H,1-4,6H2.
What are the key properties of 2-cyclopentylideneethanesulfonyl chloride?
2-cyclopentylideneethanesulfonyl chloride has a molecular weight of 194.68 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylideneethanesulfonyl chloride is sourced from PubChem (CID 84665838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).