2-(benzenesulfonyl)-3-phenyloxirane

C14H12O3S — CID 11623059

IUPAC2-(benzenesulfonyl)-3-phenyloxirane
SMILESO=S(=O)(c1ccccc1)C1OC1c1ccccc1
InChIInChI=1S/C14H12O3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13-14H
InChIKeyIDSZLSANMWDMIQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.56
Rot. Bonds3

About 2-(benzenesulfonyl)-3-phenyloxirane

2-(benzenesulfonyl)-3-phenyloxirane (PubChem CID 11623059) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-phenyloxirane.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-phenyloxirane
PubChem CID11623059
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name2-(benzenesulfonyl)-3-phenyloxirane
SMILESO=S(=O)(c1ccccc1)C1OC1c1ccccc1
InChIInChI=1S/C14H12O3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13-14H
InChIKeyIDSZLSANMWDMIQ-UHFFFAOYSA-N
XLogP2.56
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
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Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
CID 3053244
2-(4-Methanesulfonylphenyl)oxirane
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5-(Benzenesulfonyl)-2,3-diphenyl-7-oxabicyclo[2.2.1]hept-2-ene
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2-(Benzenesulfonyl)-3-(4-fluorophenyl)oxirane
CID 73345888
1-methyl-4-[(E)-3-phenylmethoxyprop-1-enyl]sulfonylbenzene
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2-(Benzenesulfonyl)-1-(4-fluorophenyl)ethanol
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CID 11184587

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-phenyloxirane?
The IUPAC name of 2-(benzenesulfonyl)-3-phenyloxirane (CID 11623059) is 2-(benzenesulfonyl)-3-phenyloxirane.
What is the SMILES notation for 2-(benzenesulfonyl)-3-phenyloxirane?
The canonical SMILES for 2-(benzenesulfonyl)-3-phenyloxirane is O=S(=O)(c1ccccc1)C1OC1c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-phenyloxirane?
The InChIKey is IDSZLSANMWDMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13-14H.
What are the key properties of 2-(benzenesulfonyl)-3-phenyloxirane?
2-(benzenesulfonyl)-3-phenyloxirane has a molecular weight of 260.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-phenyloxirane is sourced from PubChem (CID 11623059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).