(2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane

C14H12O3S — CID 11379943

IUPAC(2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane
SMILESO=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C14H12O3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13-14H/t13-,14-/m0/s1
InChIKeyIDSZLSANMWDMIQ-KBPBESRZSA-N
MW260.31 g/mol
LogP2.56
Rot. Bonds3

About (2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane

(2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane (PubChem CID 11379943) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is (2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane.

Molecular Properties

Compound Name(2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane
PubChem CID11379943
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name(2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane
SMILESO=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1ccccc1
InChIInChI=1S/C14H12O3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13-14H/t13-,14-/m0/s1
InChIKeyIDSZLSANMWDMIQ-KBPBESRZSA-N
XLogP2.56
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.56
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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Related Compounds

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Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (Z)-
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Thiophene, tetrahydro-3,4-dibenzyloxy-, 1,1-dioxide, (E)-
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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane?
The IUPAC name of (2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane (CID 11379943) is (2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane.
What is the SMILES notation for (2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane?
The canonical SMILES for (2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane is O=S(=O)(c1ccccc1)[C@@H]1O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane?
The InChIKey is IDSZLSANMWDMIQ-KBPBESRZSA-N. The full InChI is InChI=1S/C14H12O3S/c15-18(16,12-9-5-2-6-10-12)14-13(17-14)11-7-3-1-4-8-11/h1-10,13-14H/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane?
(2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane has a molecular weight of 260.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(benzenesulfonyl)-3-phenyloxirane is sourced from PubChem (CID 11379943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).