cyclohex-3-ene-1-sulfonyl chloride

C6H9ClO2S — CID 55279907

IUPACcyclohex-3-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC=CCC1
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2
InChIKeyWMXMQKPNGZDMHX-UHFFFAOYSA-N
MW180.66 g/mol
LogP1.66
Rot. Bonds1

About cyclohex-3-ene-1-sulfonyl chloride

cyclohex-3-ene-1-sulfonyl chloride (PubChem CID 55279907) has the molecular formula C6H9ClO2S and a molecular weight of 180.66 g/mol. Its IUPAC name is cyclohex-3-ene-1-sulfonyl chloride.

Molecular Properties

Compound Namecyclohex-3-ene-1-sulfonyl chloride
PubChem CID55279907
Molecular FormulaC6H9ClO2S
Molecular Weight180.66 g/mol
Exact Mass180.00
IUPAC Namecyclohex-3-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CC=CCC1
InChIInChI=1S/C6H9ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2
InChIKeyWMXMQKPNGZDMHX-UHFFFAOYSA-N
XLogP1.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.66
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohex-3-ene-1-sulfonyl 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 cyclohex-3-ene-1-sulfonyl chloride?
The IUPAC name of cyclohex-3-ene-1-sulfonyl chloride (CID 55279907) is cyclohex-3-ene-1-sulfonyl chloride.
What is the SMILES notation for cyclohex-3-ene-1-sulfonyl chloride?
The canonical SMILES for cyclohex-3-ene-1-sulfonyl chloride is O=S(=O)(Cl)C1CC=CCC1.
What is the InChIKey of cyclohex-3-ene-1-sulfonyl chloride?
The InChIKey is WMXMQKPNGZDMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-2,6H,3-5H2.
What are the key properties of cyclohex-3-ene-1-sulfonyl chloride?
cyclohex-3-ene-1-sulfonyl chloride has a molecular weight of 180.66 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-ene-1-sulfonyl chloride is sourced from PubChem (CID 55279907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).