1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine

C20H24FNO2S — CID 142470254

IUPAC1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
SMILESCc1ccc(CCC2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2S/c1-16-5-7-17(8-6-16)9-12-19-4-2-3-15-22(19)25(23,24)20-13-10-18(21)11-14-20/h5-8,10-11,13-14,19H,2-4,9,12,15H2,1H3
InChIKeyCTAWXEXEPJASIZ-UHFFFAOYSA-N
MW361.48 g/mol
LogP4.31
Rot. Bonds5

About 1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine

1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine (PubChem CID 142470254) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
PubChem CID142470254
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine
SMILESCc1ccc(CCC2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2S/c1-16-5-7-17(8-6-16)9-12-19-4-2-3-15-22(19)25(23,24)20-13-10-18(21)11-14-20/h5-8,10-11,13-14,19H,2-4,9,12,15H2,1H3
InChIKeyCTAWXEXEPJASIZ-UHFFFAOYSA-N
XLogP4.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-chloro-4-fluorophenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 142470240
2-butyl-1-(4-methylphenyl)sulfonylpiperidine
CID 177451088
(2R)-2-(iodomethyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 15038479
2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 155269120
N'-(4-fluorophenyl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide
CID 18574389
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
N-[2-[1-(benzenesulfonyl)piperidin-2-yl]ethyl]-N'-[2-(4-fluorophenyl)ethyl]oxamide
CID 18574278
(2S)-1-(4-methylphenyl)sulfonyl-2-prop-2-enylpiperidine
CID 101399954
(2R)-2-butyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 101030218
2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethyl 4-methylbenzenesulfonate
CID 59042580
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2S)-1-(4-methylphenyl)sulfonyl-2-[2-[2-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]ethoxymethoxy]ethyl]pyrrolidine
CID 171349964

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine (CID 142470254) is 1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine is Cc1ccc(CCC2CCCCN2S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine?
The InChIKey is CTAWXEXEPJASIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-16-5-7-17(8-6-16)9-12-19-4-2-3-15-22(19)25(23,24)20-13-10-18(21)11-14-20/h5-8,10-11,13-14,19H,2-4,9,12,15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine?
1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine has a molecular weight of 361.48 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-[2-(4-methylphenyl)ethyl]piperidine is sourced from PubChem (CID 142470254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).