2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine

C17H19FN2O2S — CID 58211354

IUPAC2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C17H19FN2O2S/c1-13-8-10-20(11-9-13)23(21,22)17-7-3-6-16(19-17)14-4-2-5-15(18)12-14/h2-7,12-13H,8-11H2,1H3
InChIKeyQEMSJMXRIFEWCC-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.31
Rot. Bonds3

About 2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine

2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine (PubChem CID 58211354) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
PubChem CID58211354
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCC1CCN(S(=O)(=O)c2cccc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C17H19FN2O2S/c1-13-8-10-20(11-9-13)23(21,22)17-7-3-6-16(19-17)14-4-2-5-15(18)12-14/h2-7,12-13H,8-11H2,1H3
InChIKeyQEMSJMXRIFEWCC-UHFFFAOYSA-N
XLogP3.31
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421
3-(4-methylpiperidin-1-yl)sulfonylpyridazine
CID 170387335
(7S)-2-(3-fluorophenyl)-7-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 129462538
1-(5-fluoro-2-methylphenyl)sulfonyl-4-methylpiperidine
CID 145499915
1-[4-[6-(3-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819548
4-[6-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-2-pyridinyl]benzonitrile
CID 58210850
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568
2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine
CID 57444924
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
CID 154581567
6-(3-fluorophenyl)pyridine-2-carboxylic acid
CID 24730139

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine (CID 58211354) is 2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine is CC1CCN(S(=O)(=O)c2cccc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of 2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is QEMSJMXRIFEWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-13-8-10-20(11-9-13)23(21,22)17-7-3-6-16(19-17)14-4-2-5-15(18)12-14/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 334.42 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 58211354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).