2-(cyclohexen-1-yl)ethanesulfonyl chloride

C8H13ClO2S — CID 84676523

IUPAC2-(cyclohexen-1-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1=CCCCC1
InChIInChI=1S/C8H13ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2
InChIKeyXSGMFEWIIGHVFS-UHFFFAOYSA-N
MW208.71 g/mol
LogP2.45
Rot. Bonds3

About 2-(cyclohexen-1-yl)ethanesulfonyl chloride

2-(cyclohexen-1-yl)ethanesulfonyl chloride (PubChem CID 84676523) has the molecular formula C8H13ClO2S and a molecular weight of 208.71 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethanesulfonyl chloride
PubChem CID84676523
Molecular FormulaC8H13ClO2S
Molecular Weight208.71 g/mol
Exact Mass208.03
IUPAC Name2-(cyclohexen-1-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1=CCCCC1
InChIInChI=1S/C8H13ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2
InChIKeyXSGMFEWIIGHVFS-UHFFFAOYSA-N
XLogP2.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.71
LogP ≤ 52.45
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 2-(cyclohexen-1-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(cyclohexen-1-yl)ethanesulfonyl chloride (CID 84676523) is 2-(cyclohexen-1-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(cyclohexen-1-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)ethanesulfonyl chloride?
The InChIKey is XSGMFEWIIGHVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2.
What are the key properties of 2-(cyclohexen-1-yl)ethanesulfonyl chloride?
2-(cyclohexen-1-yl)ethanesulfonyl chloride has a molecular weight of 208.71 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84676523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).