1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one

C21H19FO4S — CID 2887838

IUPAC1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)C(CC(=O)c2ccc(F)cc2)c2ccc(C)o2)cc1
InChIInChI=1S/C21H19FO4S/c1-14-3-10-18(11-4-14)27(24,25)21(20-12-5-15(2)26-20)13-19(23)16-6-8-17(22)9-7-16/h3-12,21H,13H2,1-2H3
InChIKeyUHKMONFGYAWZEL-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.82
Rot. Bonds6

About 1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one

1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one (PubChem CID 2887838) has the molecular formula C21H19FO4S and a molecular weight of 386.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
PubChem CID2887838
Molecular FormulaC21H19FO4S
Molecular Weight386.44 g/mol
Exact Mass386.10
IUPAC Name1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
SMILESCc1ccc(S(=O)(=O)C(CC(=O)c2ccc(F)cc2)c2ccc(C)o2)cc1
InChIInChI=1S/C21H19FO4S/c1-14-3-10-18(11-4-14)27(24,25)21(20-12-5-15(2)26-20)13-19(23)16-6-8-17(22)9-7-16/h3-12,21H,13H2,1-2H3
InChIKeyUHKMONFGYAWZEL-UHFFFAOYSA-N
XLogP4.82
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-Methoxyphenyl)-2-(phenylsulfonyl)ethanone
CID 16750524
Furan-3-yl(4-(methylsulfonyl)phenyl)methanone
CID 46939837
3-(Benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenyl-1-propanone
CID 3135155
3-(Furan-2-yl)-1-phenyl-3-(phenylsulfonyl)propan-1-one
CID 2858731
2-(3,5-Difluoro-phenoxy)-3-(4-methanesulfonyl-phenyl)-cyclopent-2-enone
CID 10594921
(4-(Methylsulfonyl)phenyl)-2-phenoxycyclopent-2-enone
CID 10758665
3-(4-Methoxyphenyl)-3-(4-methylphenyl)sulfonyl-1-phenyl-1-propanone
CID 2884084
1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
CID 3552700
2-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)-1-benzofuran
CID 155536520
1-(4-Fluorophenyl)-3-(furan-2-yl)-3-(phenylsulfonyl)propan-1-one
CID 660889
3-(3-Fluoro-4-methoxy-phenyl)-2-(4-methanesulfonyl-phenyl)-benzofuran
CID 44316044
1-(2-{[4-(Benzylsulfonyl)benzyl]oxy}phenyl)ethanone
CID 1300495

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one (CID 2887838) is 1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one is Cc1ccc(S(=O)(=O)C(CC(=O)c2ccc(F)cc2)c2ccc(C)o2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one?
The InChIKey is UHKMONFGYAWZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO4S/c1-14-3-10-18(11-4-14)27(24,25)21(20-12-5-15(2)26-20)13-19(23)16-6-8-17(22)9-7-16/h3-12,21H,13H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one?
1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one has a molecular weight of 386.44 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one is sourced from PubChem (CID 2887838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).