2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone

C15H12F2O3S — CID 115736591

IUPAC2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H12F2O3S/c1-21(19,20)13-5-2-10(3-6-13)15(18)9-11-8-12(16)4-7-14(11)17/h2-8H,9H2,1H3
InChIKeyQLVIIZJMHUSVGL-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.79
Rot. Bonds4

About 2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone

2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 115736591) has the molecular formula C15H12F2O3S and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID115736591
Molecular FormulaC15H12F2O3S
Molecular Weight310.32 g/mol
Exact Mass310.05
IUPAC Name2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)Cc2cc(F)ccc2F)cc1
InChIInChI=1S/C15H12F2O3S/c1-21(19,20)13-5-2-10(3-6-13)15(18)9-11-8-12(16)4-7-14(11)17/h2-8H,9H2,1H3
InChIKeyQLVIIZJMHUSVGL-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-(2,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11370314
2-(2-bromo-5-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 114968196
2-(2,5-difluorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114964032
2-(3,4-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736597
2-(2,5-difluorophenyl)-1-[4-(dimethylamino)phenyl]ethanone
CID 105082380
2-(3-bromo-4-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 115736596
(2,5-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 43337472
2-(2,5-difluorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 115736561
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
(3,4-difluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262866
1-(4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105373147
2-(3-chloro-2-fluorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 102865739

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone (CID 115736591) is 2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)Cc2cc(F)ccc2F)cc1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is QLVIIZJMHUSVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3S/c1-21(19,20)13-5-2-10(3-6-13)15(18)9-11-8-12(16)4-7-14(11)17/h2-8H,9H2,1H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone?
2-(2,5-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-(2,5-difluorophenyl)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 115736591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).