1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one

C22H20O4S — CID 166438237

IUPAC1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one
SMILESO=C(Cc1ccccc1)C(OCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20O4S/c23-21(16-18-10-4-1-5-11-18)22(26-17-19-12-6-2-7-13-19)27(24,25)20-14-8-3-9-15-20/h1-15,22H,16-17H2
InChIKeyIVMHEYMNTZJRGZ-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.82
Rot. Bonds8

About 1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one

1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one (PubChem CID 166438237) has the molecular formula C22H20O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one
PubChem CID166438237
Molecular FormulaC22H20O4S
Molecular Weight380.47 g/mol
Exact Mass380.11
IUPAC Name1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one
SMILESO=C(Cc1ccccc1)C(OCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20O4S/c23-21(16-18-10-4-1-5-11-18)22(26-17-19-12-6-2-7-13-19)27(24,25)20-14-8-3-9-15-20/h1-15,22H,16-17H2
InChIKeyIVMHEYMNTZJRGZ-UHFFFAOYSA-N
XLogP3.82
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Dimethyl-5-(4-methylsulfonylphenyl)-4-phenylfuran-3-one
CID 9884461
2-(4-Methanesulfonyl-phenyl)-6-methyl-3-phenyl-pyran-4-one
CID 9927909
3-(3-Methylphenyl)-2-(4-methylsulfonylphenyl)-1-oxaspiro[4.5]dec-2-en-4-one
CID 11280928
3-Benzyl-2-(4-methanesulfonyl-phenyl)-6-methyl-pyran-4-one
CID 11439632
2-Ethyl-2-methyl-5-{4-(methylsulfonyl)phenyl}-4-phenyl-3(2h)-furanone
CID 11164138
2,2-Diethyl-5-(4-methylsulfonylphenyl)-4-phenylfuran-3-one
CID 11257224
2-{4-(Methylsulfonyl)phenyl}-3-phenyl-1-oxa-spiro[4,5]dec-2-en-4-one
CID 11326538
(4R,5S)-2-(benzenesulfonyl)-3-(benzenesulfonylmethyl)-4,5-bis(phenylmethoxy)cyclopent-2-en-1-one
CID 387903
2,2-Dimethyl-5-(4-methylsulfonylphenyl)-4-(4-phenylphenyl)furan-3-one
CID 18386100
(E)-1-(4-fluorophenyl)-7-(phenylsulfonyl)hept-5-en-3-yl benzoate
CID 163359661
(E)-1-cyclohexyl-5-((3,4,5-trifluorophenyl)sulfonyl)pent-3-en-1-yl benzoate
CID 163359701
[4-(Benzenesulfonyl)-3-methyl-1-phenyldecan-3-yl] benzoate
CID 101692196

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one?
The IUPAC name of 1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one (CID 166438237) is 1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one is O=C(Cc1ccccc1)C(OCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one?
The InChIKey is IVMHEYMNTZJRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4S/c23-21(16-18-10-4-1-5-11-18)22(26-17-19-12-6-2-7-13-19)27(24,25)20-14-8-3-9-15-20/h1-15,22H,16-17H2.
What are the key properties of 1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one?
1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one has a molecular weight of 380.47 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-phenyl-1-phenylmethoxypropan-2-one is sourced from PubChem (CID 166438237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).