3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one

C15H14O4S — CID 10989906

IUPAC3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O4S/c16-14(15(17)12-7-3-1-4-8-12)11-20(18,19)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChIKeyBJCNXKOWJPVYAU-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.70
Rot. Bonds5

About 3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one

3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one (PubChem CID 10989906) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one
PubChem CID10989906
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(O)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O4S/c16-14(15(17)12-7-3-1-4-8-12)11-20(18,19)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChIKeyBJCNXKOWJPVYAU-UHFFFAOYSA-N
XLogP1.70
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Phenyl-2-(phenylsulphonyl)ethan-1-one
CID 76949
1-Phenyl-3-(phenylsulfonyl)propan-1-one
CID 44437631
[(1-Hydroxy-2-oxo-2-phenylethyl)thio]acetic acid
CID 4315584
(4-Benzyl-phenyl)-oxo-acetaldehyde, bisulfite
CID 18122
1-Hydroxy-2-oxo-2-(4-phenethylphenyl)ethanesulfonic acid
CID 18124
1-Hydroxy-2-[4-[4-(2-hydroxy-2-sulfo-acetyl)phenyl]phenyl]-2-oxo-ethanesulfonic acid
CID 134522
4-Hydroxy-2,5-diphenyl-1H-1lambda~6~-thiophene-1,1,3(2H)-trione
CID 388546
Ethanone, 1-(4-(ethylthio)phenyl)-2,2-dihydroxy-
CID 3040867
Ethanone, 2,2-dihydroxy-1-(4-(propylthio)phenyl)-
CID 3040868
Ethanone, 2,2-dihydroxy-1-(4-((1-methylethyl)thio)phenyl)-
CID 3040869
Ethanone, 1-(4-(butylthio)phenyl)-2,2-dihydroxy-
CID 3040870
Ethanone, 1-(4-(cyclohexylthio)phenyl)-2,2-dihydroxy-
CID 3040984

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one?
The IUPAC name of 3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one (CID 10989906) is 3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one?
The canonical SMILES for 3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one is O=C(c1ccccc1)C(O)CS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one?
The InChIKey is BJCNXKOWJPVYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c16-14(15(17)12-7-3-1-4-8-12)11-20(18,19)13-9-5-2-6-10-13/h1-10,14,16H,11H2.
What are the key properties of 3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one?
3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one has a molecular weight of 290.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-2-hydroxy-1-phenylpropan-1-one is sourced from PubChem (CID 10989906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).