1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine

C16H16F3N3O2S — CID 162408406

IUPAC1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)14-7-4-8-15(20-14)21-9-11-22(12-10-21)25(23,24)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyCLUQFZBRYQQYRX-UHFFFAOYSA-N
MW371.38 g/mol
LogP2.61
Rot. Bonds3

About 1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine

1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 162408406) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID162408406
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC Name1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2cccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C16H16F3N3O2S/c17-16(18,19)14-7-4-8-15(20-14)21-9-11-22(12-10-21)25(23,24)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyCLUQFZBRYQQYRX-UHFFFAOYSA-N
XLogP2.61
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Methylbenzenesulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 1484979
1-(Phenylsulfonyl)-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine
CID 44237012
Arylsulfonylpiperazine, 7
CID 44237015
Arylsulfonylpiperazine, 8
CID 44237016
Arylsulfonylpiperazine, 11
CID 44237018
Arylsulfonylpiperazine, 13
CID 44237019
Arylsulfonylpiperazine, 21
CID 44237025
1-[3-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]propyl]-4-pyridin-2-ylpiperazine
CID 168271260
1-[(2,5-Difluorophenyl)sulfonyl]-4-(2-pyridinyl)piperazine
CID 6466285
N-(4,6-dimethylpyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide
CID 49853004
3,4-Difluoro-N-[2-methyl-6-((2S,3'S)-2-methyl-[1,3']bipyrrolidinyl-1'-yl)-pyridin-3-yl]-benzenesulfonamide
CID 54597082
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 56953863

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine (CID 162408406) is 1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine is O=S(=O)(c1ccccc1)N1CCN(c2cccc(C(F)(F)F)n2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is CLUQFZBRYQQYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c17-16(18,19)14-7-4-8-15(20-14)21-9-11-22(12-10-21)25(23,24)13-5-2-1-3-6-13/h1-8H,9-12H2.
What are the key properties of 1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine?
1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 371.38 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 162408406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).