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

C18H11F4NO2S — CID 22745741

IUPAC3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine
SMILESCS(=O)(=O)c1cc(F)c(-c2cnccc2-c2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C18H11F4NO2S/c1-26(24,25)18-8-16(21)14(7-17(18)22)15-9-23-3-2-13(15)10-4-11(19)6-12(20)5-10/h2-9H,1H3
InChIKeyWLSXWZNYJWABTA-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.38
Rot. Bonds3

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

3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine (PubChem CID 22745741) has the molecular formula C18H11F4NO2S and a molecular weight of 381.35 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine.

Molecular Properties

Compound Name3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine
PubChem CID22745741
Molecular FormulaC18H11F4NO2S
Molecular Weight381.35 g/mol
Exact Mass381.04
IUPAC Name3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine
SMILESCS(=O)(=O)c1cc(F)c(-c2cnccc2-c2cc(F)cc(F)c2)cc1F
InChIInChI=1S/C18H11F4NO2S/c1-26(24,25)18-8-16(21)14(7-17(18)22)15-9-23-3-2-13(15)10-4-11(19)6-12(20)5-10/h2-9H,1H3
InChIKeyWLSXWZNYJWABTA-UHFFFAOYSA-N
XLogP4.38
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(4-fluorophenyl)pyridine
CID 22745781
4-(3,5-dimethylphenyl)-3-(3-fluoro-4-methylsulfonylphenyl)pyridine
CID 70122138
3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine
CID 70124796
3-(3,5-difluoro-4-methylsulfonylphenyl)-4-pyridin-3-ylpyridine
CID 22745739
3-(3,5-difluorophenyl)-4-(3-fluoro-4-methylsulfonylphenyl)thiophene
CID 18183335
3,4-bis(3-fluorophenyl)pyridine
CID 46313677
3-fluoro-4-(3-fluoro-5-methoxyphenyl)pyridine
CID 165479125
3-(3,4-dichlorophenyl)-4-(2,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22745398
4-cyclopentyl-3-(3,5-difluoro-4-methylsulfonylphenyl)pyridine
CID 22745664
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
CID 18754519
2,4-difluoro-1-methylsulfonylbenzene;titanium
CID 174383433

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine?
The IUPAC name of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine (CID 22745741) is 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine.
What is the SMILES notation for 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine?
The canonical SMILES for 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine is CS(=O)(=O)c1cc(F)c(-c2cnccc2-c2cc(F)cc(F)c2)cc1F.
What is the InChIKey of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine?
The InChIKey is WLSXWZNYJWABTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4NO2S/c1-26(24,25)18-8-16(21)14(7-17(18)22)15-9-23-3-2-13(15)10-4-11(19)6-12(20)5-10/h2-9H,1H3.
What are the key properties of 3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine?
3-(2,5-difluoro-4-methylsulfonylphenyl)-4-(3,5-difluorophenyl)pyridine has a molecular weight of 381.35 g/mol, XLogP of 4.38, 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-(3,5-difluorophenyl)pyridine is sourced from PubChem (CID 22745741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).