2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine

C16H16BrFN2O3S — CID 2526250

IUPAC2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(Oc2ccc(Br)cc2F)nc1)N1CCCCC1
InChIInChI=1S/C16H16BrFN2O3S/c17-12-4-6-15(14(18)10-12)23-16-7-5-13(11-19-16)24(21,22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2
InChIKeyUQTHAFLORCIKDH-UHFFFAOYSA-N
MW415.28 g/mol
LogP3.95
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine

2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine (PubChem CID 2526250) has the molecular formula C16H16BrFN2O3S and a molecular weight of 415.28 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine
PubChem CID2526250
Molecular FormulaC16H16BrFN2O3S
Molecular Weight415.28 g/mol
Exact Mass414.00
IUPAC Name2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine
SMILESO=S(=O)(c1ccc(Oc2ccc(Br)cc2F)nc1)N1CCCCC1
InChIInChI=1S/C16H16BrFN2O3S/c17-12-4-6-15(14(18)10-12)23-16-7-5-13(11-19-16)24(21,22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2
InChIKeyUQTHAFLORCIKDH-UHFFFAOYSA-N
XLogP3.95
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Fluorophenoxy)-3-pyridinesulfonamide
CID 46703770
1-[[6-(3-Chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 2539884
1-Methyl-4-[[6-(4-propoxyphenoxy)-3-pyridinyl]sulfonyl]piperazine
CID 24982380
2-(4-Bromophenoxy)pyridine
CID 23201935
2-[2-(4-Bromophenoxy)ethylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 16281467
1-[[6-(4-Bromo-2-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 24982514
6-Phenoxypyridine-3-sulphonyl chloride
CID 2776499
2-(4-Bromophenoxy)-5-fluoropyridine
CID 61312345
1-[[6-(2-Bromo-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 4882074
2-(4-Bromophenoxy)-5-pyrrolidin-1-ylsulfonylpyridine
CID 24234455
N-{[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl}-3-pyridinesulfonamide
CID 26407651
2-((1-((4-Bromophenyl)sulfonyl)piperidin-4-yl)oxy)nicotinonitrile
CID 71799054

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine (CID 2526250) is 2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine is O=S(=O)(c1ccc(Oc2ccc(Br)cc2F)nc1)N1CCCCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine?
The InChIKey is UQTHAFLORCIKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S/c17-12-4-6-15(14(18)10-12)23-16-7-5-13(11-19-16)24(21,22)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine?
2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine has a molecular weight of 415.28 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-5-piperidin-1-ylsulfonylpyridine is sourced from PubChem (CID 2526250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).