3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine

C24H26N2O2S — CID 157370024

IUPAC3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine
SMILESCc1cnccc1-c1cccc(C2CCCCN2S(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C24H26N2O2S/c1-18-8-3-4-12-24(18)29(27,28)26-15-6-5-11-23(26)21-10-7-9-20(16-21)22-13-14-25-17-19(22)2/h3-4,7-10,12-14,16-17,23H,5-6,11,15H2,1-2H3
InChIKeyRBDXONZYLIWFJB-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.28
Rot. Bonds4

About 3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine

3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine (PubChem CID 157370024) has the molecular formula C24H26N2O2S and a molecular weight of 406.55 g/mol. Its IUPAC name is 3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine
PubChem CID157370024
Molecular FormulaC24H26N2O2S
Molecular Weight406.55 g/mol
Exact Mass406.17
IUPAC Name3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine
SMILESCc1cnccc1-c1cccc(C2CCCCN2S(=O)(=O)c2ccccc2C)c1
InChIInChI=1S/C24H26N2O2S/c1-18-8-3-4-12-24(18)29(27,28)26-15-6-5-11-23(26)21-10-7-9-20(16-21)22-13-14-25-17-19(22)2/h3-4,7-10,12-14,16-17,23H,5-6,11,15H2,1-2H3
InChIKeyRBDXONZYLIWFJB-UHFFFAOYSA-N
XLogP5.28
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(4-[3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]-3-ethylpyridine);hydrochloride
CID 162260675
1-(2-methylphenyl)sulfonyl-2-(1H-pyrazol-5-yl)piperidine
CID 118741478
3-methoxy-4-[3-[1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-2-yl]phenyl]pyridine
CID 145433868
(2R)-2-(3-methylphenyl)-1-(2-nitrophenyl)sulfonylazepane
CID 95079015
3-[1-(2,3-dichlorophenyl)sulfonylpyrrolidin-2-yl]pyridine
CID 24525742
2-methyl-5-[(2S)-1-(2-methylphenyl)sulfonylazepan-2-yl]-1,3,4-oxadiazole
CID 164630808
(2R)-1-(2-methylphenyl)sulfonyl-2-thiophen-2-ylazepane
CID 92502924
2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole
CID 113089044
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
5-[4-(3-chloro-2-methylphenyl)sulfonyl-3-[3-(3-ethyl-4-pyridinyl)phenyl]piperazin-1-yl]-5-oxopentanoic acid
CID 145433726
3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
CID 6927843
2-[4-(3-chloro-2-methylphenyl)sulfonyl-3-[3-(3-ethyl-4-pyridinyl)phenyl]piperazin-1-yl]sulfonylacetic acid
CID 145433952

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine?
The IUPAC name of 3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine (CID 157370024) is 3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine.
What is the SMILES notation for 3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine?
The canonical SMILES for 3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine is Cc1cnccc1-c1cccc(C2CCCCN2S(=O)(=O)c2ccccc2C)c1.
What is the InChIKey of 3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine?
The InChIKey is RBDXONZYLIWFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2S/c1-18-8-3-4-12-24(18)29(27,28)26-15-6-5-11-23(26)21-10-7-9-20(16-21)22-13-14-25-17-19(22)2/h3-4,7-10,12-14,16-17,23H,5-6,11,15H2,1-2H3.
What are the key properties of 3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine?
3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine has a molecular weight of 406.55 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[3-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]phenyl]pyridine is sourced from PubChem (CID 157370024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).