2-(4-methylphenyl)sulfonyloxetane

C10H12O3S — CID 57374446

IUPAC2-(4-methylphenyl)sulfonyloxetane
SMILESCc1ccc(S(=O)(=O)C2CCO2)cc1
InChIInChI=1S/C10H12O3S/c1-8-2-4-9(5-3-8)14(11,12)10-6-7-13-10/h2-5,10H,6-7H2,1H3
InChIKeyFJVGQDPUPJMRPA-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.52
Rot. Bonds2

About 2-(4-methylphenyl)sulfonyloxetane

2-(4-methylphenyl)sulfonyloxetane (PubChem CID 57374446) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyloxetane.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyloxetane
PubChem CID57374446
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name2-(4-methylphenyl)sulfonyloxetane
SMILESCc1ccc(S(=O)(=O)C2CCO2)cc1
InChIInChI=1S/C10H12O3S/c1-8-2-4-9(5-3-8)14(11,12)10-6-7-13-10/h2-5,10H,6-7H2,1H3
InChIKeyFJVGQDPUPJMRPA-UHFFFAOYSA-N
XLogP1.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyloxetane?
The IUPAC name of 2-(4-methylphenyl)sulfonyloxetane (CID 57374446) is 2-(4-methylphenyl)sulfonyloxetane.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyloxetane?
The canonical SMILES for 2-(4-methylphenyl)sulfonyloxetane is Cc1ccc(S(=O)(=O)C2CCO2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyloxetane?
The InChIKey is FJVGQDPUPJMRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3S/c1-8-2-4-9(5-3-8)14(11,12)10-6-7-13-10/h2-5,10H,6-7H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyloxetane?
2-(4-methylphenyl)sulfonyloxetane has a molecular weight of 212.27 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyloxetane is sourced from PubChem (CID 57374446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).