1-(4-cyclopentylsulfonylphenyl)ethanone

C13H16O3S — CID 25312583

IUPAC1-(4-cyclopentylsulfonylphenyl)ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C13H16O3S/c1-10(14)11-6-8-13(9-7-11)17(15,16)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChIKeyPDRBLTYVTKBWDL-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.61
Rot. Bonds3

About 1-(4-cyclopentylsulfonylphenyl)ethanone

1-(4-cyclopentylsulfonylphenyl)ethanone (PubChem CID 25312583) has the molecular formula C13H16O3S and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-(4-cyclopentylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-cyclopentylsulfonylphenyl)ethanone
PubChem CID25312583
Molecular FormulaC13H16O3S
Molecular Weight252.33 g/mol
Exact Mass252.08
IUPAC Name1-(4-cyclopentylsulfonylphenyl)ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C13H16O3S/c1-10(14)11-6-8-13(9-7-11)17(15,16)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChIKeyPDRBLTYVTKBWDL-UHFFFAOYSA-N
XLogP2.61
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylsulfonylphenyl)ethanone?
The IUPAC name of 1-(4-cyclopentylsulfonylphenyl)ethanone (CID 25312583) is 1-(4-cyclopentylsulfonylphenyl)ethanone.
What is the SMILES notation for 1-(4-cyclopentylsulfonylphenyl)ethanone?
The canonical SMILES for 1-(4-cyclopentylsulfonylphenyl)ethanone is CC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of 1-(4-cyclopentylsulfonylphenyl)ethanone?
The InChIKey is PDRBLTYVTKBWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3S/c1-10(14)11-6-8-13(9-7-11)17(15,16)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3.
What are the key properties of 1-(4-cyclopentylsulfonylphenyl)ethanone?
1-(4-cyclopentylsulfonylphenyl)ethanone has a molecular weight of 252.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylsulfonylphenyl)ethanone is sourced from PubChem (CID 25312583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).