2-(benzenesulfonyl)-5-phenyloxolan-3-one

C16H14O4S — CID 11301102

IUPAC2-(benzenesulfonyl)-5-phenyloxolan-3-one
SMILESO=C1CC(c2ccccc2)OC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14O4S/c17-14-11-15(12-7-3-1-4-8-12)20-16(14)21(18,19)13-9-5-2-6-10-13/h1-10,15-16H,11H2
InChIKeyOXFXEIFIVAOQHH-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.52
Rot. Bonds3

About 2-(benzenesulfonyl)-5-phenyloxolan-3-one

2-(benzenesulfonyl)-5-phenyloxolan-3-one (PubChem CID 11301102) has the molecular formula C16H14O4S and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-phenyloxolan-3-one.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-phenyloxolan-3-one
PubChem CID11301102
Molecular FormulaC16H14O4S
Molecular Weight302.35 g/mol
Exact Mass302.06
IUPAC Name2-(benzenesulfonyl)-5-phenyloxolan-3-one
SMILESO=C1CC(c2ccccc2)OC1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14O4S/c17-14-11-15(12-7-3-1-4-8-12)20-16(14)21(18,19)13-9-5-2-6-10-13/h1-10,15-16H,11H2
InChIKeyOXFXEIFIVAOQHH-UHFFFAOYSA-N
XLogP2.52
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tetramic acid, 72
CID 91899482
Tetramic acid, 74
CID 91899483
(4R,5S)-2-(benzenesulfonyl)-3-(benzenesulfonylmethyl)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-one
CID 387903
2-(3-Fluorophenyl)-5-(4-methylsulfonylphenyl)furan-3-one
CID 141028007
5-(3-Fluorophenyl)-2,2-dimethyl-4-(4-methylsulfinylphenyl)oxolan-3-one
CID 142769903
5-(3-Fluorophenyl)-2,2-dimethyl-4-(4-methylsulfonylphenyl)oxolan-3-one
CID 142769910
s-Phenyl 3-phenyloxirane-2-carbothioate
CID 289622
(E,2R)-5-(benzenesulfonyl)-3,3-dimethyl-2-phenylmethoxypent-4-enal
CID 10872050
benzyl (2S)-6-[(2S,3S,5S)-5-(benzenesulfonyl)-3-methyloxolan-2-yl]-2-methylhexanoate
CID 11362788
5-Phenyl-4-(phenylsulfanyl)oxolan-2-one
CID 12596463
1-(4-Methylphenyl)sulfonyl-1-methylsulfanyl-3-phenylmethoxypropan-2-one
CID 13662200
4-(Benzenesulfonyl)-5-phenyloxolan-2-one
CID 13865192

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-phenyloxolan-3-one?
The IUPAC name of 2-(benzenesulfonyl)-5-phenyloxolan-3-one (CID 11301102) is 2-(benzenesulfonyl)-5-phenyloxolan-3-one.
What is the SMILES notation for 2-(benzenesulfonyl)-5-phenyloxolan-3-one?
The canonical SMILES for 2-(benzenesulfonyl)-5-phenyloxolan-3-one is O=C1CC(c2ccccc2)OC1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-5-phenyloxolan-3-one?
The InChIKey is OXFXEIFIVAOQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4S/c17-14-11-15(12-7-3-1-4-8-12)20-16(14)21(18,19)13-9-5-2-6-10-13/h1-10,15-16H,11H2.
What are the key properties of 2-(benzenesulfonyl)-5-phenyloxolan-3-one?
2-(benzenesulfonyl)-5-phenyloxolan-3-one has a molecular weight of 302.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-phenyloxolan-3-one is sourced from PubChem (CID 11301102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).