3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine

C19H16FNO2S — CID 70124796

IUPAC3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2ccncc2-c2ccc(S(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C19H16FNO2S/c1-13-3-5-14(6-4-13)16-9-10-21-12-17(16)15-7-8-19(18(20)11-15)24(2,22)23/h3-12H,1-2H3
InChIKeyPMTGALDXLDHHPB-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.27
Rot. Bonds3

About 3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine

3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine (PubChem CID 70124796) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine
PubChem CID70124796
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2ccncc2-c2ccc(S(C)(=O)=O)c(F)c2)cc1
InChIInChI=1S/C19H16FNO2S/c1-13-3-5-14(6-4-13)16-9-10-21-12-17(16)15-7-8-19(18(20)11-15)24(2,22)23/h3-12H,1-2H3
InChIKeyPMTGALDXLDHHPB-UHFFFAOYSA-N
XLogP4.27
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine?
The IUPAC name of 3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine (CID 70124796) is 3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine.
What is the SMILES notation for 3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine?
The canonical SMILES for 3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine is Cc1ccc(-c2ccncc2-c2ccc(S(C)(=O)=O)c(F)c2)cc1.
What is the InChIKey of 3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine?
The InChIKey is PMTGALDXLDHHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-13-3-5-14(6-4-13)16-9-10-21-12-17(16)15-7-8-19(18(20)11-15)24(2,22)23/h3-12H,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine?
3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine has a molecular weight of 341.41 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine is sourced from PubChem (CID 70124796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).