2-(cyclopenten-1-yl)ethanesulfonyl chloride

C7H11ClO2S — CID 84665836

IUPAC2-(cyclopenten-1-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1=CCCC1
InChIInChI=1S/C7H11ClO2S/c8-11(9,10)6-5-7-3-1-2-4-7/h3H,1-2,4-6H2
InChIKeyRJEZIGYFACMPGW-UHFFFAOYSA-N
MW194.68 g/mol
LogP2.06
Rot. Bonds3

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

2-(cyclopenten-1-yl)ethanesulfonyl chloride (PubChem CID 84665836) has the molecular formula C7H11ClO2S and a molecular weight of 194.68 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)ethanesulfonyl chloride
PubChem CID84665836
Molecular FormulaC7H11ClO2S
Molecular Weight194.68 g/mol
Exact Mass194.02
IUPAC Name2-(cyclopenten-1-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCC1=CCCC1
InChIInChI=1S/C7H11ClO2S/c8-11(9,10)6-5-7-3-1-2-4-7/h3H,1-2,4-6H2
InChIKeyRJEZIGYFACMPGW-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 2-(cyclopenten-1-yl)ethanesulfonyl chloride?
The IUPAC name of 2-(cyclopenten-1-yl)ethanesulfonyl chloride (CID 84665836) is 2-(cyclopenten-1-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(cyclopenten-1-yl)ethanesulfonyl chloride?
The canonical SMILES for 2-(cyclopenten-1-yl)ethanesulfonyl chloride is O=S(=O)(Cl)CCC1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)ethanesulfonyl chloride?
The InChIKey is RJEZIGYFACMPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClO2S/c8-11(9,10)6-5-7-3-1-2-4-7/h3H,1-2,4-6H2.
What are the key properties of 2-(cyclopenten-1-yl)ethanesulfonyl chloride?
2-(cyclopenten-1-yl)ethanesulfonyl chloride has a molecular weight of 194.68 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)ethanesulfonyl chloride is sourced from PubChem (CID 84665836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).