3-(4-methylphenyl)sulfonyloxolan-2-one

C11H12O4S — CID 2947420

IUPAC3-(4-methylphenyl)sulfonyloxolan-2-one
SMILESCc1ccc(S(=O)(=O)C2CCOC2=O)cc1
InChIInChI=1S/C11H12O4S/c1-8-2-4-9(5-3-8)16(13,14)10-6-7-15-11(10)12/h2-5,10H,6-7H2,1H3
InChIKeyCVKMUZUCZZGSCM-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.08
Rot. Bonds2

About 3-(4-methylphenyl)sulfonyloxolan-2-one

3-(4-methylphenyl)sulfonyloxolan-2-one (PubChem CID 2947420) has the molecular formula C11H12O4S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-(4-methylphenyl)sulfonyloxolan-2-one.

Molecular Properties

Compound Name3-(4-methylphenyl)sulfonyloxolan-2-one
PubChem CID2947420
Molecular FormulaC11H12O4S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name3-(4-methylphenyl)sulfonyloxolan-2-one
SMILESCc1ccc(S(=O)(=O)C2CCOC2=O)cc1
InChIInChI=1S/C11H12O4S/c1-8-2-4-9(5-3-8)16(13,14)10-6-7-15-11(10)12/h2-5,10H,6-7H2,1H3
InChIKeyCVKMUZUCZZGSCM-UHFFFAOYSA-N
XLogP1.08
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)sulfonyloxolan-2-one?
The IUPAC name of 3-(4-methylphenyl)sulfonyloxolan-2-one (CID 2947420) is 3-(4-methylphenyl)sulfonyloxolan-2-one.
What is the SMILES notation for 3-(4-methylphenyl)sulfonyloxolan-2-one?
The canonical SMILES for 3-(4-methylphenyl)sulfonyloxolan-2-one is Cc1ccc(S(=O)(=O)C2CCOC2=O)cc1.
What is the InChIKey of 3-(4-methylphenyl)sulfonyloxolan-2-one?
The InChIKey is CVKMUZUCZZGSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4S/c1-8-2-4-9(5-3-8)16(13,14)10-6-7-15-11(10)12/h2-5,10H,6-7H2,1H3.
What are the key properties of 3-(4-methylphenyl)sulfonyloxolan-2-one?
3-(4-methylphenyl)sulfonyloxolan-2-one has a molecular weight of 240.28 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)sulfonyloxolan-2-one is sourced from PubChem (CID 2947420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).