2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane

C16H16O3S — CID 14272471

IUPAC2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane
SMILESCCC1(S(=O)(=O)c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C16H16O3S/c1-2-16(15(19-16)13-9-5-3-6-10-13)20(17,18)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyFXKVADKKCRARKD-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.34
Rot. Bonds4

About 2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane

2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane (PubChem CID 14272471) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane.

Molecular Properties

Compound Name2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane
PubChem CID14272471
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane
SMILESCCC1(S(=O)(=O)c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C16H16O3S/c1-2-16(15(19-16)13-9-5-3-6-10-13)20(17,18)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKeyFXKVADKKCRARKD-UHFFFAOYSA-N
XLogP3.34
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.34
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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CID 891523
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CID 10520987
1-Methoxymethyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 10405126
US8815951, Epoxide Hydrolase Inhibitor 4
CID 86766822
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
CID 3053243
Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
CID 3053244
2-(4-Methanesulfonylphenyl)oxirane
CID 16792009
5-(Benzenesulfonyl)-2,3-diphenyl-7-oxabicyclo[2.2.1]hept-2-ene
CID 44421527
1-methylsulfonyl-4-[(1R,2S)-1,2,3-trimethoxypropyl]benzene
CID 56659316
2-(Benzenesulfonyl)-3-(4-fluorophenyl)oxirane
CID 73345888
1-methyl-4-[(E)-3-phenylmethoxyprop-1-enyl]sulfonylbenzene
CID 101696273
3-(Benzyloxy)propyl 4-methylbenzene-1-sulfonate
CID 11151365

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane?
The IUPAC name of 2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane (CID 14272471) is 2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane.
What is the SMILES notation for 2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane?
The canonical SMILES for 2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane is CCC1(S(=O)(=O)c2ccccc2)OC1c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane?
The InChIKey is FXKVADKKCRARKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3S/c1-2-16(15(19-16)13-9-5-3-6-10-13)20(17,18)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane?
2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane has a molecular weight of 288.37 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-2-ethyl-3-phenyloxirane is sourced from PubChem (CID 14272471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).