3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine

C18H12F3NO2S — CID 22745781

IUPAC3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine
SMILESCS(=O)(=O)c1cc(F)c(-c2cnccc2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C18H12F3NO2S/c1-25(23,24)18-9-16(20)14(8-17(18)21)15-10-22-7-6-13(15)11-2-4-12(19)5-3-11/h2-10H,1H3
InChIKeyUXVQZCUKIQLVOZ-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.24
Rot. Bonds3

About 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine

3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine (PubChem CID 22745781) has the molecular formula C18H12F3NO2S and a molecular weight of 363.36 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine
PubChem CID22745781
Molecular FormulaC18H12F3NO2S
Molecular Weight363.36 g/mol
Exact Mass363.05
IUPAC Name3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine
SMILESCS(=O)(=O)c1cc(F)c(-c2cnccc2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C18H12F3NO2S/c1-25(23,24)18-9-16(20)14(8-17(18)21)15-10-22-7-6-13(15)11-2-4-12(19)5-3-11/h2-10H,1H3
InChIKeyUXVQZCUKIQLVOZ-UHFFFAOYSA-N
XLogP4.24
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine
CID 22745741
3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine
CID 70124796
4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine
CID 70122138
N-[3-(4-fluorophenyl)-4-pyridinyl]methanesulfonamide
CID 141481661
3-fluoro-4-(4-fluorophenyl)pyridine
CID 46312739
3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine
CID 22745739
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone
CID 59872501
3-(3,4-dichlorophenyl)-4-(2,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22745398
4-(4-fluorophenyl)pyridin-3-amine
CID 82405156
3-(4-fluorophenyl)-4-methoxypyridine
CID 46312990
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine?
The IUPAC name of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine (CID 22745781) is 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine.
What is the SMILES notation for 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine?
The canonical SMILES for 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine is CS(=O)(=O)c1cc(F)c(-c2cnccc2-c2ccc(F)cc2)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine?
The InChIKey is UXVQZCUKIQLVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3NO2S/c1-25(23,24)18-9-16(20)14(8-17(18)21)15-10-22-7-6-13(15)11-2-4-12(19)5-3-11/h2-10H,1H3.
What are the key properties of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine?
3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine has a molecular weight of 363.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine is sourced from PubChem (CID 22745781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).