1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine

C13H16F3NO2S — CID 2746064

IUPAC1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C13H16F3NO2S/c1-10-2-4-12(5-3-10)20(18,19)17-8-6-11(7-9-17)13(14,15)16/h2-5,11H,6-9H2,1H3
InChIKeyFLFSTUKJNWSWOU-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.96
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine

1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine (PubChem CID 2746064) has the molecular formula C13H16F3NO2S and a molecular weight of 307.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine
PubChem CID2746064
Molecular FormulaC13H16F3NO2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Name1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine
SMILESCc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)cc1
InChIInChI=1S/C13H16F3NO2S/c1-10-2-4-12(5-3-10)20(18,19)17-8-6-11(7-9-17)13(14,15)16/h2-5,11H,6-9H2,1H3
InChIKeyFLFSTUKJNWSWOU-UHFFFAOYSA-N
XLogP2.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
p-Toluenesulfonamide, N,N-diethyl-
CID 69539
N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1-Methyl-4-(para-tolylsulfonyl)-piperazine
CID 269717
1-Tosylpiperidin-4-one
CID 560957
4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
50487-72-4
CID 351447
Ditolamide
CID 208847
2,5-Dimethyl-1-(toluene-4-sulfonyl)-piperidin-4-one
CID 3109998
N-(difluoromethyl)-N,4-dimethylbenzenesulfonamide
CID 710702

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine (CID 2746064) is 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine is Cc1ccc(S(=O)(=O)N2CCC(C(F)(F)F)CC2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine?
The InChIKey is FLFSTUKJNWSWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2S/c1-10-2-4-12(5-3-10)20(18,19)17-8-6-11(7-9-17)13(14,15)16/h2-5,11H,6-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine?
1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine has a molecular weight of 307.34 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 2746064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).