2-(4-chlorophenyl)sulfonyloxirane

C8H7ClO3S — CID 73347392

IUPAC2-(4-chlorophenyl)sulfonyloxirane
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CO1
InChIInChI=1S/C8H7ClO3S/c9-6-1-3-7(4-2-6)13(10,11)8-5-12-8/h1-4,8H,5H2
InChIKeyIZVNKVIUDMBJGG-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.47
Rot. Bonds2

About 2-(4-chlorophenyl)sulfonyloxirane

2-(4-chlorophenyl)sulfonyloxirane (PubChem CID 73347392) has the molecular formula C8H7ClO3S and a molecular weight of 218.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyloxirane.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyloxirane
PubChem CID73347392
Molecular FormulaC8H7ClO3S
Molecular Weight218.66 g/mol
Exact Mass217.98
IUPAC Name2-(4-chlorophenyl)sulfonyloxirane
SMILESO=S(=O)(c1ccc(Cl)cc1)C1CO1
InChIInChI=1S/C8H7ClO3S/c9-6-1-3-7(4-2-6)13(10,11)8-5-12-8/h1-4,8H,5H2
InChIKeyIZVNKVIUDMBJGG-UHFFFAOYSA-N
XLogP1.47
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.47
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)sulfonyloxirane?
The IUPAC name of 2-(4-chlorophenyl)sulfonyloxirane (CID 73347392) is 2-(4-chlorophenyl)sulfonyloxirane.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyloxirane?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyloxirane is O=S(=O)(c1ccc(Cl)cc1)C1CO1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyloxirane?
The InChIKey is IZVNKVIUDMBJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO3S/c9-6-1-3-7(4-2-6)13(10,11)8-5-12-8/h1-4,8H,5H2.
What are the key properties of 2-(4-chlorophenyl)sulfonyloxirane?
2-(4-chlorophenyl)sulfonyloxirane has a molecular weight of 218.66 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyloxirane is sourced from PubChem (CID 73347392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).