4-(benzenesulfonyl)-6-phenyloxan-2-one

C17H16O4S — CID 14056125

IUPAC4-(benzenesulfonyl)-6-phenyloxan-2-one
SMILESO=C1CC(S(=O)(=O)c2ccccc2)CC(c2ccccc2)O1
InChIInChI=1S/C17H16O4S/c18-17-12-15(22(19,20)14-9-5-2-6-10-14)11-16(21-17)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2
InChIKeyFQGFEGQQHFVQIH-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.91
Rot. Bonds3

About 4-(benzenesulfonyl)-6-phenyloxan-2-one

4-(benzenesulfonyl)-6-phenyloxan-2-one (PubChem CID 14056125) has the molecular formula C17H16O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-6-phenyloxan-2-one.

Molecular Properties

Compound Name4-(benzenesulfonyl)-6-phenyloxan-2-one
PubChem CID14056125
Molecular FormulaC17H16O4S
Molecular Weight316.38 g/mol
Exact Mass316.08
IUPAC Name4-(benzenesulfonyl)-6-phenyloxan-2-one
SMILESO=C1CC(S(=O)(=O)c2ccccc2)CC(c2ccccc2)O1
InChIInChI=1S/C17H16O4S/c18-17-12-15(22(19,20)14-9-5-2-6-10-14)11-16(21-17)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2
InChIKeyFQGFEGQQHFVQIH-UHFFFAOYSA-N
XLogP2.91
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-diphenyloxan-2-one
CID 78061466
(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one
CID 127256657
(4R,5S,6S)-5-(benzenesulfonyl)-4-methyl-6-phenyloxan-2-one
CID 102593365
3-(benzenesulfonyl)cyclopentan-1-one
CID 64722631
5-phenyloxolan-2-one
CID 13884
5-phenyloxolane-2,3-dione
CID 14450727
(3R,5R)-3-amino-5-phenyloxolan-2-one
CID 12521195
(3S)-3-hydroxy-5-phenyloxolan-2-one
CID 46197935
(3R,5R)-3-hydroxy-5-phenyloxolan-2-one
CID 11665488
3-chloro-5-phenyloxolan-2-one
CID 3018341
(2R)-5-(benzenesulfonyl)-2-methylcyclohexan-1-one
CID 167093009
trans-(9R,11R)-9-hydroxy-11-phenyl-oxacycloundecane-2,8-dione
CID 53299559

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-6-phenyloxan-2-one?
The IUPAC name of 4-(benzenesulfonyl)-6-phenyloxan-2-one (CID 14056125) is 4-(benzenesulfonyl)-6-phenyloxan-2-one.
What is the SMILES notation for 4-(benzenesulfonyl)-6-phenyloxan-2-one?
The canonical SMILES for 4-(benzenesulfonyl)-6-phenyloxan-2-one is O=C1CC(S(=O)(=O)c2ccccc2)CC(c2ccccc2)O1.
What is the InChIKey of 4-(benzenesulfonyl)-6-phenyloxan-2-one?
The InChIKey is FQGFEGQQHFVQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4S/c18-17-12-15(22(19,20)14-9-5-2-6-10-14)11-16(21-17)13-7-3-1-4-8-13/h1-10,15-16H,11-12H2.
What are the key properties of 4-(benzenesulfonyl)-6-phenyloxan-2-one?
4-(benzenesulfonyl)-6-phenyloxan-2-one has a molecular weight of 316.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-6-phenyloxan-2-one is sourced from PubChem (CID 14056125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).