2-(benzenesulfonyl)cyclopent-2-en-1-one

C11H10O3S — CID 10242650

IUPAC2-(benzenesulfonyl)cyclopent-2-en-1-one
SMILESO=C1CCC=C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10O3S/c12-10-7-4-8-11(10)15(13,14)9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChIKeyJHRQDXIMVDVZKK-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.71
Rot. Bonds2

About 2-(benzenesulfonyl)cyclopent-2-en-1-one

2-(benzenesulfonyl)cyclopent-2-en-1-one (PubChem CID 10242650) has the molecular formula C11H10O3S and a molecular weight of 222.27 g/mol. Its IUPAC name is 2-(benzenesulfonyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name2-(benzenesulfonyl)cyclopent-2-en-1-one
PubChem CID10242650
Molecular FormulaC11H10O3S
Molecular Weight222.27 g/mol
Exact Mass222.04
IUPAC Name2-(benzenesulfonyl)cyclopent-2-en-1-one
SMILESO=C1CCC=C1S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H10O3S/c12-10-7-4-8-11(10)15(13,14)9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2
InChIKeyJHRQDXIMVDVZKK-UHFFFAOYSA-N
XLogP1.71
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)cyclopent-2-en-1-one?
The IUPAC name of 2-(benzenesulfonyl)cyclopent-2-en-1-one (CID 10242650) is 2-(benzenesulfonyl)cyclopent-2-en-1-one.
What is the SMILES notation for 2-(benzenesulfonyl)cyclopent-2-en-1-one?
The canonical SMILES for 2-(benzenesulfonyl)cyclopent-2-en-1-one is O=C1CCC=C1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)cyclopent-2-en-1-one?
The InChIKey is JHRQDXIMVDVZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3S/c12-10-7-4-8-11(10)15(13,14)9-5-2-1-3-6-9/h1-3,5-6,8H,4,7H2.
What are the key properties of 2-(benzenesulfonyl)cyclopent-2-en-1-one?
2-(benzenesulfonyl)cyclopent-2-en-1-one has a molecular weight of 222.27 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)cyclopent-2-en-1-one is sourced from PubChem (CID 10242650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).