2-[4-(benzenesulfonyl)phenoxy]oxirane

C14H12O4S — CID 22346112

IUPAC2-[4-(benzenesulfonyl)phenoxy]oxirane
SMILESO=S(=O)(c1ccccc1)c1ccc(OC2CO2)cc1
InChIInChI=1S/C14H12O4S/c15-19(16,12-4-2-1-3-5-12)13-8-6-11(7-9-13)18-14-10-17-14/h1-9,14H,10H2
InChIKeyDGTJBWKDDHPAGM-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.25
Rot. Bonds4

About 2-[4-(benzenesulfonyl)phenoxy]oxirane

2-[4-(benzenesulfonyl)phenoxy]oxirane (PubChem CID 22346112) has the molecular formula C14H12O4S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)phenoxy]oxirane.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)phenoxy]oxirane
PubChem CID22346112
Molecular FormulaC14H12O4S
Molecular Weight276.31 g/mol
Exact Mass276.05
IUPAC Name2-[4-(benzenesulfonyl)phenoxy]oxirane
SMILESO=S(=O)(c1ccccc1)c1ccc(OC2CO2)cc1
InChIInChI=1S/C14H12O4S/c15-19(16,12-4-2-1-3-5-12)13-8-6-11(7-9-13)18-14-10-17-14/h1-9,14H,10H2
InChIKeyDGTJBWKDDHPAGM-UHFFFAOYSA-N
XLogP2.25
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-(benzenesulfonyl)phenoxy]oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)phenoxy]oxirane?
The IUPAC name of 2-[4-(benzenesulfonyl)phenoxy]oxirane (CID 22346112) is 2-[4-(benzenesulfonyl)phenoxy]oxirane.
What is the SMILES notation for 2-[4-(benzenesulfonyl)phenoxy]oxirane?
The canonical SMILES for 2-[4-(benzenesulfonyl)phenoxy]oxirane is O=S(=O)(c1ccccc1)c1ccc(OC2CO2)cc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)phenoxy]oxirane?
The InChIKey is DGTJBWKDDHPAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4S/c15-19(16,12-4-2-1-3-5-12)13-8-6-11(7-9-13)18-14-10-17-14/h1-9,14H,10H2.
What are the key properties of 2-[4-(benzenesulfonyl)phenoxy]oxirane?
2-[4-(benzenesulfonyl)phenoxy]oxirane has a molecular weight of 276.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)phenoxy]oxirane is sourced from PubChem (CID 22346112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).