cyclohexen-1-ylmethanesulfonyl chloride

C7H11ClO2S — CID 84665837

IUPACcyclohexen-1-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1=CCCCC1
InChIInChI=1S/C7H11ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyJZSYTCXUUCYGFJ-UHFFFAOYSA-N
MW194.68 g/mol
LogP2.06
Rot. Bonds2

About cyclohexen-1-ylmethanesulfonyl chloride

cyclohexen-1-ylmethanesulfonyl chloride (PubChem CID 84665837) has the molecular formula C7H11ClO2S and a molecular weight of 194.68 g/mol. Its IUPAC name is cyclohexen-1-ylmethanesulfonyl chloride.

Molecular Properties

Compound Namecyclohexen-1-ylmethanesulfonyl chloride
PubChem CID84665837
Molecular FormulaC7H11ClO2S
Molecular Weight194.68 g/mol
Exact Mass194.02
IUPAC Namecyclohexen-1-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1=CCCCC1
InChIInChI=1S/C7H11ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2
InChIKeyJZSYTCXUUCYGFJ-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'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-ylmethanesulfonyl chloride?
The IUPAC name of cyclohexen-1-ylmethanesulfonyl chloride (CID 84665837) is cyclohexen-1-ylmethanesulfonyl chloride.
What is the SMILES notation for cyclohexen-1-ylmethanesulfonyl chloride?
The canonical SMILES for cyclohexen-1-ylmethanesulfonyl chloride is O=S(=O)(Cl)CC1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylmethanesulfonyl chloride?
The InChIKey is JZSYTCXUUCYGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2.
What are the key properties of cyclohexen-1-ylmethanesulfonyl chloride?
cyclohexen-1-ylmethanesulfonyl 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 cyclohexen-1-ylmethanesulfonyl chloride is sourced from PubChem (CID 84665837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).