3-(benzenesulfonyl)cyclopentan-1-one

C11H12O3S — CID 64722631

IUPAC3-(benzenesulfonyl)cyclopentan-1-one
SMILESO=C1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C11H12O3S/c12-9-6-7-11(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,11H,6-8H2
InChIKeyPJWXWGTYFCOATI-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.58
Rot. Bonds2

About 3-(benzenesulfonyl)cyclopentan-1-one

3-(benzenesulfonyl)cyclopentan-1-one (PubChem CID 64722631) has the molecular formula C11H12O3S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(benzenesulfonyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)cyclopentan-1-one
PubChem CID64722631
Molecular FormulaC11H12O3S
Molecular Weight224.28 g/mol
Exact Mass224.05
IUPAC Name3-(benzenesulfonyl)cyclopentan-1-one
SMILESO=C1CCC(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C11H12O3S/c12-9-6-7-11(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,11H,6-8H2
InChIKeyPJWXWGTYFCOATI-UHFFFAOYSA-N
XLogP1.58
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)cyclopentan-1-one?
The IUPAC name of 3-(benzenesulfonyl)cyclopentan-1-one (CID 64722631) is 3-(benzenesulfonyl)cyclopentan-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)cyclopentan-1-one?
The canonical SMILES for 3-(benzenesulfonyl)cyclopentan-1-one is O=C1CCC(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 3-(benzenesulfonyl)cyclopentan-1-one?
The InChIKey is PJWXWGTYFCOATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3S/c12-9-6-7-11(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,11H,6-8H2.
What are the key properties of 3-(benzenesulfonyl)cyclopentan-1-one?
3-(benzenesulfonyl)cyclopentan-1-one has a molecular weight of 224.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)cyclopentan-1-one is sourced from PubChem (CID 64722631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).