1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone

C17H17FO3S — CID 51050215

IUPAC1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CCCS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FO3S/c1-13(19)15-6-4-14(5-7-15)3-2-12-22(20,21)17-10-8-16(18)9-11-17/h4-11H,2-3,12H2,1H3
InChIKeyMVGGUPMWLTXAJG-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.43
Rot. Bonds6

About 1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone

1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone (PubChem CID 51050215) has the molecular formula C17H17FO3S and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone
PubChem CID51050215
Molecular FormulaC17H17FO3S
Molecular Weight320.39 g/mol
Exact Mass320.09
IUPAC Name1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone
SMILESCC(=O)c1ccc(CCCS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FO3S/c1-13(19)15-6-4-14(5-7-15)3-2-12-22(20,21)17-10-8-16(18)9-11-17/h4-11H,2-3,12H2,1H3
InChIKeyMVGGUPMWLTXAJG-UHFFFAOYSA-N
XLogP3.43
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Phenyl-2-(phenylsulphonyl)ethan-1-one
CID 76949
2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one
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3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione
CID 345951
2-(Phenylsulfonyl)-1-p-tolylethanone
CID 15627039
Thioxanthen-9-one 10,10-dioxide
CID 220255
1-[4-(Phenylsulfinyl)phenyl]-1-ethanone
CID 1487167
4-((4-Methylphenyl)sulfonyl)-4-phenyl-2-butanone
CID 3127843
1-(4-Fluorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
CID 5225625
1-[4-(Benzenesulfonyl)phenyl]ethan-1-one
CID 265878
1-(4-Fluorophenyl)-2-(phenylsulfonyl)ethanone
CID 1483401
3-((4-Bromophenyl)sulfonyl)-1-(4-methylphenyl)-1-propanone
CID 3705881
3-((4-Chlorophenyl)sulfonyl)-1-(4-methylphenyl)-1-propanone
CID 4091559

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone?
The IUPAC name of 1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone (CID 51050215) is 1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone is CC(=O)c1ccc(CCCS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone?
The InChIKey is MVGGUPMWLTXAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3S/c1-13(19)15-6-4-14(5-7-15)3-2-12-22(20,21)17-10-8-16(18)9-11-17/h4-11H,2-3,12H2,1H3.
What are the key properties of 1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone?
1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone has a molecular weight of 320.39 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-fluorophenyl)sulfonylpropyl]phenyl]ethanone is sourced from PubChem (CID 51050215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).