2-(2-methylphenyl)sulfonylcyclopentan-1-one

C12H14O3S — CID 64635795

IUPAC2-(2-methylphenyl)sulfonylcyclopentan-1-one
SMILESCc1ccccc1S(=O)(=O)C1CCCC1=O
InChIInChI=1S/C12H14O3S/c1-9-5-2-3-7-11(9)16(14,15)12-8-4-6-10(12)13/h2-3,5,7,12H,4,6,8H2,1H3
InChIKeyUTLGDEDWZLAEQE-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.89
Rot. Bonds2

About 2-(2-methylphenyl)sulfonylcyclopentan-1-one

2-(2-methylphenyl)sulfonylcyclopentan-1-one (PubChem CID 64635795) has the molecular formula C12H14O3S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfonylcyclopentan-1-one.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfonylcyclopentan-1-one
PubChem CID64635795
Molecular FormulaC12H14O3S
Molecular Weight238.31 g/mol
Exact Mass238.07
IUPAC Name2-(2-methylphenyl)sulfonylcyclopentan-1-one
SMILESCc1ccccc1S(=O)(=O)C1CCCC1=O
InChIInChI=1S/C12H14O3S/c1-9-5-2-3-7-11(9)16(14,15)12-8-4-6-10(12)13/h2-3,5,7,12H,4,6,8H2,1H3
InChIKeyUTLGDEDWZLAEQE-UHFFFAOYSA-N
XLogP1.89
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfonylcyclopentan-1-one?
The IUPAC name of 2-(2-methylphenyl)sulfonylcyclopentan-1-one (CID 64635795) is 2-(2-methylphenyl)sulfonylcyclopentan-1-one.
What is the SMILES notation for 2-(2-methylphenyl)sulfonylcyclopentan-1-one?
The canonical SMILES for 2-(2-methylphenyl)sulfonylcyclopentan-1-one is Cc1ccccc1S(=O)(=O)C1CCCC1=O.
What is the InChIKey of 2-(2-methylphenyl)sulfonylcyclopentan-1-one?
The InChIKey is UTLGDEDWZLAEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3S/c1-9-5-2-3-7-11(9)16(14,15)12-8-4-6-10(12)13/h2-3,5,7,12H,4,6,8H2,1H3.
What are the key properties of 2-(2-methylphenyl)sulfonylcyclopentan-1-one?
2-(2-methylphenyl)sulfonylcyclopentan-1-one has a molecular weight of 238.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfonylcyclopentan-1-one is sourced from PubChem (CID 64635795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).