2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane

C15H13FO3S — CID 139704095

IUPAC2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane
SMILESCC1(S(=O)(=O)c2ccccc2)OC1c1ccccc1F
InChIInChI=1S/C15H13FO3S/c1-15(20(17,18)11-7-3-2-4-8-11)14(19-15)12-9-5-6-10-13(12)16/h2-10,14H,1H3
InChIKeyOERNXNVGOQHFIQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.09
Rot. Bonds3

About 2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane

2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane (PubChem CID 139704095) has the molecular formula C15H13FO3S and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane
PubChem CID139704095
Molecular FormulaC15H13FO3S
Molecular Weight292.33 g/mol
Exact Mass292.06
IUPAC Name2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane
SMILESCC1(S(=O)(=O)c2ccccc2)OC1c1ccccc1F
InChIInChI=1S/C15H13FO3S/c1-15(20(17,18)11-7-3-2-4-8-11)14(19-15)12-9-5-6-10-13(12)16/h2-10,14H,1H3
InChIKeyOERNXNVGOQHFIQ-UHFFFAOYSA-N
XLogP3.09
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.09
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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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane?
The IUPAC name of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane (CID 139704095) is 2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane?
The canonical SMILES for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane is CC1(S(=O)(=O)c2ccccc2)OC1c1ccccc1F.
What is the InChIKey of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane?
The InChIKey is OERNXNVGOQHFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3S/c1-15(20(17,18)11-7-3-2-4-8-11)14(19-15)12-9-5-6-10-13(12)16/h2-10,14H,1H3.
What are the key properties of 2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane?
2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane has a molecular weight of 292.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(2-fluorophenyl)-2-methyloxirane is sourced from PubChem (CID 139704095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).