2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine

C22H21FN2O2S — CID 110254506

IUPAC2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC1c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C22H21FN2O2S/c23-18-11-13-20(14-12-18)28(26,27)25-15-5-10-22(25)21-9-4-8-19(24-21)16-17-6-2-1-3-7-17/h1-4,6-9,11-14,22H,5,10,15-16H2
InChIKeyWGOPEVGEYBTJOW-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.34
Rot. Bonds5

About 2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine

2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine (PubChem CID 110254506) has the molecular formula C22H21FN2O2S and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
PubChem CID110254506
Molecular FormulaC22H21FN2O2S
Molecular Weight396.49 g/mol
Exact Mass396.13
IUPAC Name2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCC1c1cccc(Cc2ccccc2)n1
InChIInChI=1S/C22H21FN2O2S/c23-18-11-13-20(14-12-18)28(26,27)25-15-5-10-22(25)21-9-4-8-19(24-21)16-17-6-2-1-3-7-17/h1-4,6-9,11-14,22H,5,10,15-16H2
InChIKeyWGOPEVGEYBTJOW-UHFFFAOYSA-N
XLogP4.34
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95817970
2-[(3-fluorophenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818487
(2R)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 95818112
2-[(4-fluorophenyl)methyl]-6-(1-methylpyrrolidin-2-yl)pyridine
CID 110254377
2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]-6-[[4-(trifluoromethyl)phenyl]methyl]pyridine
CID 95817972
2-benzyl-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817945
2-[3-(bromomethyl)phenyl]-1-(4-fluorophenyl)sulfonylpiperidine
CID 68846672
[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 95818235
1-[2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-2-phenylethanone
CID 110254483
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211
6-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
CID 125000616
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]pyridine
CID 95818393

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The IUPAC name of 2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine (CID 110254506) is 2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine.
What is the SMILES notation for 2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The canonical SMILES for 2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine is O=S(=O)(c1ccc(F)cc1)N1CCCC1c1cccc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
The InChIKey is WGOPEVGEYBTJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2S/c23-18-11-13-20(14-12-18)28(26,27)25-15-5-10-22(25)21-9-4-8-19(24-21)16-17-6-2-1-3-7-17/h1-4,6-9,11-14,22H,5,10,15-16H2.
What are the key properties of 2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine?
2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine has a molecular weight of 396.49 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]pyridine is sourced from PubChem (CID 110254506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).