2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone

C15H12F2O3S — CID 115736597

IUPAC2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H12F2O3S/c1-21(19,20)12-5-3-11(4-6-12)15(18)9-10-2-7-13(16)14(17)8-10/h2-8H,9H2,1H3
InChIKeyJWEDMOIMLDHGEU-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.79
Rot. Bonds4

About 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone

2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 115736597) has the molecular formula C15H12F2O3S and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID115736597
Molecular FormulaC15H12F2O3S
Molecular Weight310.32 g/mol
Exact Mass310.05
IUPAC Name2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H12F2O3S/c1-21(19,20)12-5-3-11(4-6-12)15(18)9-10-2-7-13(16)14(17)8-10/h2-8H,9H2,1H3
InChIKeyJWEDMOIMLDHGEU-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

2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736596
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736591
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethanone
CID 22350061
2-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
3,4-difluoro-N-[(4-methylsulfonylphenyl)methyl]benzamide
CID 110784508
1-(3,4-diethylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 115481784
2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 114968196
(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262863
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 102865739
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone (CID 115736597) is 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)Cc2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is JWEDMOIMLDHGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3S/c1-21(19,20)12-5-3-11(4-6-12)15(18)9-10-2-7-13(16)14(17)8-10/h2-8H,9H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
2-(3,4-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-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 115736597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).