2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine

C17H19FN2O2S — CID 57444924

IUPAC2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine
SMILESCc1ccccc1C1CCN(S(=O)(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C17H19FN2O2S/c1-13-5-2-3-6-15(13)14-9-11-20(12-10-14)23(21,22)17-8-4-7-16(18)19-17/h2-8,14H,9-12H2,1H3
InChIKeyJRNKGZOAPOCHJV-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.10
Rot. Bonds3

About 2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine

2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine (PubChem CID 57444924) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine
PubChem CID57444924
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC Name2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine
SMILESCc1ccccc1C1CCN(S(=O)(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C17H19FN2O2S/c1-13-5-2-3-6-15(13)14-9-11-20(12-10-14)23(21,22)17-8-4-7-16(18)19-17/h2-8,14H,9-12H2,1H3
InChIKeyJRNKGZOAPOCHJV-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine (CID 57444924) is 2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine is Cc1ccccc1C1CCN(S(=O)(=O)c2cccc(F)n2)CC1.
What is the InChIKey of 2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is JRNKGZOAPOCHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-13-5-2-3-6-15(13)14-9-11-20(12-10-14)23(21,22)17-8-4-7-16(18)19-17/h2-8,14H,9-12H2,1H3.
What are the key properties of 2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine?
2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 334.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(2-methylphenyl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 57444924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).