3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

C19H24FN3O2S — CID 110264024

IUPAC3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2ccc(Cc3cccc(F)c3)cn2)C1
InChIInChI=1S/C19H24FN3O2S/c1-22(2)26(24,25)23-10-4-6-17(14-23)19-9-8-16(13-21-19)11-15-5-3-7-18(20)12-15/h3,5,7-9,12-13,17H,4,6,10-11,14H2,1-2H3
InChIKeyWTXQKZMGGDVZMF-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.80
Rot. Bonds5

About 3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 110264024) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is 3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID110264024
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCCC(c2ccc(Cc3cccc(F)c3)cn2)C1
InChIInChI=1S/C19H24FN3O2S/c1-22(2)26(24,25)23-10-4-6-17(14-23)19-9-8-16(13-21-19)11-15-5-3-7-18(20)12-15/h3,5,7-9,12-13,17H,4,6,10-11,14H2,1-2H3
InChIKeyWTXQKZMGGDVZMF-UHFFFAOYSA-N
XLogP2.80
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
2-[(3R)-1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-5-[(3-fluorophenyl)methyl]pyridine
CID 124975359
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
3-[5-[(2,6-difluorophenyl)methyl]-2-pyridinyl]-N,N-diethylpiperidine-1-sulfonamide
CID 110264030
5-[(4-fluorophenyl)methyl]-2-[(3S)-1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]pyridine
CID 125009856
3-[2-(3-fluorophenyl)ethyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 45174478
(3S)-N,N-dimethyl-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809648
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615597
(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809658
3-[3-(3-fluorophenyl)pyrazin-2-yl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110254997
3-[5-(4,5-dimethyl-1,3-thiazol-2-yl)-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110100406
(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809670

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 110264024) is 3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCCC(c2ccc(Cc3cccc(F)c3)cn2)C1.
What is the InChIKey of 3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is WTXQKZMGGDVZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-22(2)26(24,25)23-10-4-6-17(14-23)19-9-8-16(13-21-19)11-15-5-3-7-18(20)12-15/h3,5,7-9,12-13,17H,4,6,10-11,14H2,1-2H3.
What are the key properties of 3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 377.49 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 110264024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).