[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate

C17H15FO5S — CID 8677319

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate
SMILESCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1cccc(F)c1
InChIInChI=1S/C17H15FO5S/c1-2-24(21,22)16-9-4-3-8-14(16)17(20)23-11-15(19)12-6-5-7-13(18)10-12/h3-10H,2,11H2,1H3
InChIKeyRJPJZIJGQTUGLW-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.66
Rot. Bonds6

About [2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate

[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate (PubChem CID 8677319) has the molecular formula C17H15FO5S and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate
PubChem CID8677319
Molecular FormulaC17H15FO5S
Molecular Weight350.37 g/mol
Exact Mass350.06
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate
SMILESCCS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1cccc(F)c1
InChIInChI=1S/C17H15FO5S/c1-2-24(21,22)16-9-4-3-8-14(16)17(20)23-11-15(19)12-6-5-7-13(18)10-12/h3-10H,2,11H2,1H3
InChIKeyRJPJZIJGQTUGLW-UHFFFAOYSA-N
XLogP2.66
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-ethylsulfonylbenzoate
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CID 8666926
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8855189
[2-(3-fluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 8675808
[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
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[2-(3-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 8676496
[2-(3-fluorophenyl)-2-oxoethyl] 3-methyl-2-nitrobenzoate
CID 8675962
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-methylsulfonylbenzoate
CID 8568876
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8857248
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-ethylsulfonylbenzoate
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[2-(4-fluorophenyl)-2-oxoethyl] 2-[methyl(phenyl)sulfamoyl]benzoate
CID 16514831
1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800565

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate (CID 8677319) is [2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate is CCS(=O)(=O)c1ccccc1C(=O)OCC(=O)c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate?
The InChIKey is RJPJZIJGQTUGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO5S/c1-2-24(21,22)16-9-4-3-8-14(16)17(20)23-11-15(19)12-6-5-7-13(18)10-12/h3-10H,2,11H2,1H3.
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate?
[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate has a molecular weight of 350.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate is sourced from PubChem (CID 8677319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).