[2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate

C17H16O5S — CID 15549911

IUPAC[2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate
SMILESCS(=O)(=O)c1ccc(C(=O)COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H16O5S/c1-23(20,21)15-9-7-14(8-10-15)16(18)12-22-17(19)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyFFGBLORBEKAYGC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.06
Rot. Bonds6

About [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate

[2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate (PubChem CID 15549911) has the molecular formula C17H16O5S and a molecular weight of 332.38 g/mol. Its IUPAC name is [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate
PubChem CID15549911
Molecular FormulaC17H16O5S
Molecular Weight332.38 g/mol
Exact Mass332.07
IUPAC Name[2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate
SMILESCS(=O)(=O)c1ccc(C(=O)COC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H16O5S/c1-23(20,21)15-9-7-14(8-10-15)16(18)12-22-17(19)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3
InChIKeyFFGBLORBEKAYGC-UHFFFAOYSA-N
XLogP2.06
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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3-Benzoyl-4-(4-methanesulfonyl-phenyl)-5,5-dimethyl-5H-furan-2-one
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2(5H)-Furanone, 3-(4-fluorophenyl)-4-[4-(methylsulfonyl)phenyl]-
CID 10830394
5-Ethoxy-3-(4-fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-5-methyl-5H-furan-2-one
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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate (CID 15549911) is [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate is CS(=O)(=O)c1ccc(C(=O)COC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate?
The InChIKey is FFGBLORBEKAYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5S/c1-23(20,21)15-9-7-14(8-10-15)16(18)12-22-17(19)11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3.
What are the key properties of [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate?
[2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate has a molecular weight of 332.38 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfonylphenyl)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 15549911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).