2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone

C15H13FO3S2 — CID 51072855

IUPAC2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FO3S2/c1-21(18,19)14-8-2-11(3-9-14)15(17)10-20-13-6-4-12(16)5-7-13/h2-9H,10H2,1H3
InChIKeyCMCPPZSWXZDKKR-UHFFFAOYSA-N
MW324.40 g/mol
LogP3.20
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone

2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 51072855) has the molecular formula C15H13FO3S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
PubChem CID51072855
Molecular FormulaC15H13FO3S2
Molecular Weight324.40 g/mol
Exact Mass324.03
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)CSc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FO3S2/c1-21(18,19)14-8-2-11(3-9-14)15(17)10-20-13-6-4-12(16)5-7-13/h2-9H,10H2,1H3
InChIKeyCMCPPZSWXZDKKR-UHFFFAOYSA-N
XLogP3.20
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-iodophenyl)-2-(4-methylsulfonylphenyl)sulfanylethanone
CID 62402772
4-[2-(4-fluorophenyl)sulfanylacetyl]benzonitrile
CID 43225044
2-(4-fluoroanilino)-1-(4-methylsulfonylphenyl)ethanone
CID 102007898
N-[[4-[2-(4-fluorophenyl)sulfanylacetyl]phenyl]methyl]acetamide
CID 17432923
1-(4-cyclobutylphenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 116505636
4-fluoro-N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]benzamide
CID 19629433
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
1-(4-methylsulfanylphenyl)-2-phenylsulfanylethanone
CID 43413317
2-(4-fluorophenyl)sulfanylacetate
CID 4115535
1-(4-fluorophenyl)sulfanyl-3-methylbut-3-en-2-one
CID 79189606

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone (CID 51072855) is 2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)CSc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is CMCPPZSWXZDKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3S2/c1-21(18,19)14-8-2-11(3-9-14)15(17)10-20-13-6-4-12(16)5-7-13/h2-9H,10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone?
2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 324.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 51072855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).