2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine

C18H21FN2O2S — CID 58210815

IUPAC2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1F
InChIInChI=1S/C18H21FN2O2S/c1-13-8-10-21(11-9-13)24(22,23)18-5-3-4-17(20-18)15-7-6-14(2)16(19)12-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyKKLCHMHRQYOXHS-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.62
Rot. Bonds3

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

2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine (PubChem CID 58210815) has the molecular formula C18H21FN2O2S and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
PubChem CID58210815
Molecular FormulaC18H21FN2O2S
Molecular Weight348.44 g/mol
Exact Mass348.13
IUPAC Name2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine
SMILESCc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1F
InChIInChI=1S/C18H21FN2O2S/c1-13-8-10-21(11-9-13)24(22,23)18-5-3-4-17(20-18)15-7-6-14(2)16(19)12-15/h3-7,12-13H,8-11H2,1-2H3
InChIKeyKKLCHMHRQYOXHS-UHFFFAOYSA-N
XLogP3.62
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The IUPAC name of 2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine (CID 58210815) is 2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The canonical SMILES for 2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine is Cc1ccc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
The InChIKey is KKLCHMHRQYOXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2S/c1-13-8-10-21(11-9-13)24(22,23)18-5-3-4-17(20-18)15-7-6-14(2)16(19)12-15/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine?
2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine has a molecular weight of 348.44 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methylphenyl)-6-(4-methylpiperidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 58210815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).