6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine

C18H16FNO2S — CID 70871242

IUPAC6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=CC=C2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FNO2S/c1-14-5-11-17(12-6-14)23(21,22)20-13-3-2-4-18(20)15-7-9-16(19)10-8-15/h2-12H,13H2,1H3
InChIKeyCBRJMIASXYSENH-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.74
Rot. Bonds3

About 6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine

6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine (PubChem CID 70871242) has the molecular formula C18H16FNO2S and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine
PubChem CID70871242
Molecular FormulaC18H16FNO2S
Molecular Weight329.40 g/mol
Exact Mass329.09
IUPAC Name6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine
SMILESCc1ccc(S(=O)(=O)N2CC=CC=C2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16FNO2S/c1-14-5-11-17(12-6-14)23(21,22)20-13-3-2-4-18(20)15-7-9-16(19)10-8-15/h2-12H,13H2,1H3
InChIKeyCBRJMIASXYSENH-UHFFFAOYSA-N
XLogP3.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine?
The IUPAC name of 6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine (CID 70871242) is 6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine?
The canonical SMILES for 6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine is Cc1ccc(S(=O)(=O)N2CC=CC=C2c2ccc(F)cc2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine?
The InChIKey is CBRJMIASXYSENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2S/c1-14-5-11-17(12-6-14)23(21,22)20-13-3-2-4-18(20)15-7-9-16(19)10-8-15/h2-12H,13H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine?
6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine has a molecular weight of 329.40 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-2H-pyridine is sourced from PubChem (CID 70871242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).