2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone

C15H12F2O3S — CID 11370314

IUPAC2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H12F2O3S/c1-21(19,20)13-6-3-10(4-7-13)15(18)8-11-2-5-12(16)9-14(11)17/h2-7,9H,8H2,1H3
InChIKeyHYOFHJBNYYKPGV-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.79
Rot. Bonds4

About 2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone

2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 11370314) has the molecular formula C15H12F2O3S and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID11370314
Molecular FormulaC15H12F2O3S
Molecular Weight310.32 g/mol
Exact Mass310.05
IUPAC Name2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H12F2O3S/c1-21(19,20)13-6-3-10(4-7-13)15(18)8-11-2-5-12(16)9-14(11)17/h2-7,9H,8H2,1H3
InChIKeyHYOFHJBNYYKPGV-UHFFFAOYSA-N
XLogP2.79
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.79
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
CID 97654
1-(4-(Phenylthio)phenyl)ethan-1-one
CID 66287
2-(Phenylsulfonyl)-1-p-tolylethanone
CID 15627039
Thioxanthen-9-one 10,10-dioxide
CID 220255
1-[4-(Phenylsulfinyl)phenyl]-1-ethanone
CID 1487167
2-(Methylsulfonyl)acetophenone
CID 19457
4-(Methylsulfonyl)benzaldehyde
CID 220376
4-((4-Methylphenyl)sulfonyl)-4-phenyl-2-butanone
CID 3127843
1-(4-Fluorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
CID 5225625
1-(4-(Methylthio)phenyl)ethan-1-one
CID 74501
1-[4-(Benzenesulfonyl)phenyl]ethan-1-one
CID 265878

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone (CID 11370314) is 2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)Cc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is HYOFHJBNYYKPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3S/c1-21(19,20)13-6-3-10(4-7-13)15(18)8-11-2-5-12(16)9-14(11)17/h2-7,9H,8H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 310.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 11370314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).