1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

C12H14F3NO2S — CID 2808558

IUPAC1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)10-5-4-6-11(9-10)19(17,18)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8H2
InChIKeyCBSJSEIGPVXOAY-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.88
Rot. Bonds2

About 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 2808558) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID2808558
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC Name1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCCC1
InChIInChI=1S/C12H14F3NO2S/c13-12(14,15)10-5-4-6-11(9-10)19(17,18)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8H2
InChIKeyCBSJSEIGPVXOAY-UHFFFAOYSA-N
XLogP2.88
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 1-(p-tolylsulfonyl)-
CID 78431
N,3-Dimethyl-N-((1R)-1-methyl-3-(4-methyl-1-piperidinyl)propyl)benzenesulfonamide
CID 5312148
1-(Phenylsulfonyl)piperidine
CID 78733
1-Phenylmethanesulfonyl-piperidine
CID 273955
2,6-Dimethyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}morpholine
CID 2818577
4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
3-Methyl-1-[(4-methylphenyl)sulfonyl]piperidine
CID 2842402
N,N-Dimethyl-3-((S)-1-propyl-piperidin-3-yl)-benzenesulfonamide
CID 10018300
1-(Benzenesulfonyl)-4-benzylpiperidine
CID 727417
1-(4-Methyl benzene)-sulfonyl-cis-2,6-dimethylpiperidine
CID 27764355
4-Methyl-1-tosylpiperidine
CID 755367
4-Methyl-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 801435

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 2808558) is 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCCC1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is CBSJSEIGPVXOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c13-12(14,15)10-5-4-6-11(9-10)19(17,18)16-7-2-1-3-8-16/h4-6,9H,1-3,7-8H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 293.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 2808558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).