(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane

C20H16O4S — CID 11131920

IUPAC(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane
SMILESO=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16O4S/c21-25(22,18-12-5-2-6-13-18)20-19(24-20)15-8-7-11-17(14-15)23-16-9-3-1-4-10-16/h1-14,19-20H/t19-,20-/m0/s1
InChIKeyJOUQJJFMQSWEIF-PMACEKPBSA-N
MW352.41 g/mol
LogP4.35
Rot. Bonds5

About (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane

(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane (PubChem CID 11131920) has the molecular formula C20H16O4S and a molecular weight of 352.41 g/mol. Its IUPAC name is (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane.

Molecular Properties

Compound Name(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane
PubChem CID11131920
Molecular FormulaC20H16O4S
Molecular Weight352.41 g/mol
Exact Mass352.08
IUPAC Name(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane
SMILESO=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H16O4S/c21-25(22,18-12-5-2-6-13-18)20-19(24-20)15-8-7-11-17(14-15)23-16-9-3-1-4-10-16/h1-14,19-20H/t19-,20-/m0/s1
InChIKeyJOUQJJFMQSWEIF-PMACEKPBSA-N
XLogP4.35
TPSA55.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)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 (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane?
The IUPAC name of (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane (CID 11131920) is (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane.
What is the SMILES notation for (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane?
The canonical SMILES for (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane is O=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1cccc(Oc2ccccc2)c1.
What is the InChIKey of (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane?
The InChIKey is JOUQJJFMQSWEIF-PMACEKPBSA-N. The full InChI is InChI=1S/C20H16O4S/c21-25(22,18-12-5-2-6-13-18)20-19(24-20)15-8-7-11-17(14-15)23-16-9-3-1-4-10-16/h1-14,19-20H/t19-,20-/m0/s1.
What are the key properties of (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane?
(2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane has a molecular weight of 352.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(benzenesulfonyl)-3-(3-phenoxyphenyl)oxirane is sourced from PubChem (CID 11131920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).