1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine

C12H15F3N2O2S — CID 697788

IUPAC1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C12H15F3N2O2S/c1-16-6-8-17(9-7-16)20(18,19)11-5-3-2-4-10(11)12(13,14)15/h2-5H,6-9H2,1H3
InChIKeyUBONSUREFARGMA-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.64
Rot. Bonds2

About 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine

1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 697788) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID697788
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.32 g/mol
Exact Mass308.08
IUPAC Name1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C12H15F3N2O2S/c1-16-6-8-17(9-7-16)20(18,19)11-5-3-2-4-10(11)12(13,14)15/h2-5H,6-9H2,1H3
InChIKeyUBONSUREFARGMA-UHFFFAOYSA-N
XLogP1.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 269717
4-{[2-(Trifluoromethyl)phenyl]sulfonyl}morpholine
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CID 2305612
1-Benzylsulfonyl-4-ethylpiperazine
CID 645383
1,4-Bis{[2-(trifluoromethyl)phenyl]sulfonyl}piperazine
CID 1190452
3-[4-(4-Methylphenyl)sulfonylpiperazin-1-yl]propanenitrile
CID 2427476
1-[(3,4-Difluorophenyl)sulfonyl]-4-(2-phenylethyl)piperazine
CID 6465550
1-(2,4-Difluorophenethyl)-4-(4-fluorophenylsulfonyl)piperazine
CID 44411668
1-(4-Methylphenyl)sulfonyl-4-propan-2-ylpiperazine
CID 787171
1-Methyl-4-(toluene-2-sulfonyl)-piperazine
CID 839485
1-Ethyl-4-(mesitylsulfonyl)piperazine
CID 843242
1-(Mesitylsulfonyl)-4-methylpiperazine
CID 567240

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 697788) is 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine is CN1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is UBONSUREFARGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-16-6-8-17(9-7-16)20(18,19)11-5-3-2-4-10(11)12(13,14)15/h2-5H,6-9H2,1H3.
What are the key properties of 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 308.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 697788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).