2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine

C23H22ClFN2O2S — CID 124975359

IUPAC2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine
SMILESO=S(=O)(c1ccccc1Cl)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1
InChIInChI=1S/C23H22ClFN2O2S/c24-21-8-1-2-9-23(21)30(28,29)27-12-4-6-19(16-27)22-11-10-18(15-26-22)13-17-5-3-7-20(25)14-17/h1-3,5,7-11,14-15,19H,4,6,12-13,16H2/t19-/m1/s1
InChIKeyKXIYUPYJRNAVAB-LJQANCHMSA-N
MW444.96 g/mol
LogP5.03
Rot. Bonds5

About 2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine

2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine (PubChem CID 124975359) has the molecular formula C23H22ClFN2O2S and a molecular weight of 444.96 g/mol. Its IUPAC name is 2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine
PubChem CID124975359
Molecular FormulaC23H22ClFN2O2S
Molecular Weight444.96 g/mol
Exact Mass444.11
IUPAC Name2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine
SMILESO=S(=O)(c1ccccc1Cl)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1
InChIInChI=1S/C23H22ClFN2O2S/c24-21-8-1-2-9-23(21)30(28,29)27-12-4-6-19(16-27)22-11-10-18(15-26-22)13-17-5-3-7-20(25)14-17/h1-3,5,7-11,14-15,19H,4,6,12-13,16H2/t19-/m1/s1
InChIKeyKXIYUPYJRNAVAB-LJQANCHMSA-N
XLogP5.03
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.96
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110264024
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
CID 125009856
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615597
2-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridine
CID 136539939
2-[(3-fluorophenyl)methyl]-6-[(3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 95810775
2-[(3-fluorophenyl)methyl]-6-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 110250016
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide
CID 110264030
2-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-1H-benzimidazole
CID 110404146
1-(2-chlorophenyl)sulfonylpiperidin-3-amine
CID 43123365
cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110093302

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine?
The IUPAC name of 2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine (CID 124975359) is 2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine.
What is the SMILES notation for 2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine?
The canonical SMILES for 2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine is O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1.
What is the InChIKey of 2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine?
The InChIKey is KXIYUPYJRNAVAB-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22ClFN2O2S/c24-21-8-1-2-9-23(21)30(28,29)27-12-4-6-19(16-27)22-11-10-18(15-26-22)13-17-5-3-7-20(25)14-17/h1-3,5,7-11,14-15,19H,4,6,12-13,16H2/t19-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine?
2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine has a molecular weight of 444.96 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine is sourced from PubChem (CID 124975359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).