(2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane

C16H16O3S — CID 134982016

IUPAC(2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane
SMILESO=S(=O)(c1ccccc1)[C@@H]1CCO[C@H]1c1ccccc1
InChIInChI=1S/C16H16O3S/c17-20(18,14-9-5-2-6-10-14)15-11-12-19-16(15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m1/s1
InChIKeyFXPUEHXJUSXVFP-CVEARBPZSA-N
MW288.37 g/mol
LogP2.99
Rot. Bonds3

About (2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane

(2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane (PubChem CID 134982016) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is (2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane.

Molecular Properties

Compound Name(2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane
PubChem CID134982016
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name(2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane
SMILESO=S(=O)(c1ccccc1)[C@@H]1CCO[C@H]1c1ccccc1
InChIInChI=1S/C16H16O3S/c17-20(18,14-9-5-2-6-10-14)15-11-12-19-16(15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m1/s1
InChIKeyFXPUEHXJUSXVFP-CVEARBPZSA-N
XLogP2.99
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane?
The IUPAC name of (2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane (CID 134982016) is (2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane.
What is the SMILES notation for (2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane?
The canonical SMILES for (2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane is O=S(=O)(c1ccccc1)[C@@H]1CCO[C@H]1c1ccccc1.
What is the InChIKey of (2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane?
The InChIKey is FXPUEHXJUSXVFP-CVEARBPZSA-N. The full InChI is InChI=1S/C16H16O3S/c17-20(18,14-9-5-2-6-10-14)15-11-12-19-16(15)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane?
(2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane has a molecular weight of 288.37 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(benzenesulfonyl)-2-phenyloxolane is sourced from PubChem (CID 134982016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).