2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane

C16H13ClO3S — CID 102428106

IUPAC2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane
SMILESO=S(=O)(/C=C/c1ccccc1)C1OC1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClO3S/c17-14-8-6-13(7-9-14)15-16(20-15)21(18,19)11-10-12-4-2-1-3-5-12/h1-11,15-16H/b11-10+
InChIKeyGPUUACUSJFXZHB-ZHACJKMWSA-N
MW320.80 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane

2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane (PubChem CID 102428106) has the molecular formula C16H13ClO3S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane
PubChem CID102428106
Molecular FormulaC16H13ClO3S
Molecular Weight320.80 g/mol
Exact Mass320.03
IUPAC Name2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane
SMILESO=S(=O)(/C=C/c1ccccc1)C1OC1c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClO3S/c17-14-8-6-13(7-9-14)15-16(20-15)21(18,19)11-10-12-4-2-1-3-5-12/h1-11,15-16H/b11-10+
InChIKeyGPUUACUSJFXZHB-ZHACJKMWSA-N
XLogP3.82
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 53.82
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-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane?
The IUPAC name of 2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane (CID 102428106) is 2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane?
The canonical SMILES for 2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane is O=S(=O)(/C=C/c1ccccc1)C1OC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane?
The InChIKey is GPUUACUSJFXZHB-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H13ClO3S/c17-14-8-6-13(7-9-14)15-16(20-15)21(18,19)11-10-12-4-2-1-3-5-12/h1-11,15-16H/b11-10+.
What are the key properties of 2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane?
2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane has a molecular weight of 320.80 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[(E)-2-phenylethenyl]sulfonyloxirane is sourced from PubChem (CID 102428106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).