4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine

C16H17FN2O3S — CID 122256039

IUPAC4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccccc1F)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C16H17FN2O3S/c17-15-5-1-2-6-16(15)23(20,21)19-11-3-4-14(12-19)22-13-7-9-18-10-8-13/h1-2,5-10,14H,3-4,11-12H2
InChIKeyHRNJQPWTZONQKR-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.45
Rot. Bonds4

About 4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine

4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine (PubChem CID 122256039) has the molecular formula C16H17FN2O3S and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine
PubChem CID122256039
Molecular FormulaC16H17FN2O3S
Molecular Weight336.39 g/mol
Exact Mass336.09
IUPAC Name4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine
SMILESO=S(=O)(c1ccccc1F)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C16H17FN2O3S/c17-15-5-1-2-6-16(15)23(20,21)19-11-3-4-14(12-19)22-13-7-9-18-10-8-13/h1-2,5-10,14H,3-4,11-12H2
InChIKeyHRNJQPWTZONQKR-UHFFFAOYSA-N
XLogP2.45
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine
CID 110605443
1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
CID 61046286
1-(2-fluorophenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 86972427
3-(chloromethyl)-1-(2-fluorophenyl)sulfonylpiperidine
CID 55188405
(4aS,8aS)-2-(2-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 11926572
(3S)-3-(4-fluorophenoxy)-1-(2-methylsulfonylphenyl)sulfonylpyrrolidine
CID 154843466
5-chloro-2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122267332
2-(2-fluorophenoxy)-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 121017974
4-[(3S)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 124969146
5-bromo-3-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]sulfonylpyridin-2-amine
CID 99578182
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018010
4-(1-tert-butylpiperidin-3-yl)oxypyridine
CID 138636947

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine?
The IUPAC name of 4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine (CID 122256039) is 4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine.
What is the SMILES notation for 4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine?
The canonical SMILES for 4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine is O=S(=O)(c1ccccc1F)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of 4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine?
The InChIKey is HRNJQPWTZONQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3S/c17-15-5-1-2-6-16(15)23(20,21)19-11-3-4-14(12-19)22-13-7-9-18-10-8-13/h1-2,5-10,14H,3-4,11-12H2.
What are the key properties of 4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine?
4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine has a molecular weight of 336.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]oxypyridine is sourced from PubChem (CID 122256039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).