1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine

C12H15F3N2O2S — CID 697906

IUPAC1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H15F3N2O2S/c1-16-5-7-17(8-6-16)20(18,19)11-4-2-3-10(9-11)12(13,14)15/h2-4,9H,5-8H2,1H3
InChIKeyVNKMBILJDPZQIP-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.64
Rot. Bonds2

About 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine

1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 697906) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.32 g/mol. Its IUPAC name is 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID697906
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.32 g/mol
Exact Mass308.08
IUPAC Name1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C12H15F3N2O2S/c1-16-5-7-17(8-6-16)20(18,19)11-4-2-3-10(9-11)12(13,14)15/h2-4,9H,5-8H2,1H3
InChIKeyVNKMBILJDPZQIP-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

1-(2,6-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3701613
1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-one
CID 10709847
4-cyclopropylidene-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 121187233
1-(3-tert-butylphenyl)sulfonylaziridine
CID 89308656
1-(3-methylbut-2-enyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 8689327
1-(2,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 5006087
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 37479505
1-[(1R)-1-phenylethyl]-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 30493587
1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 166405977
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 25243777
1-(6-methyl-2-pyridinyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 3836694
(3R)-1-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 41156767

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 697906) is 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is VNKMBILJDPZQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-16-5-7-17(8-6-16)20(18,19)11-4-2-3-10(9-11)12(13,14)15/h2-4,9H,5-8H2,1H3.
What are the key properties of 1-methyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-methyl-4-[3-(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-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 697906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).