1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine

C17H18F3N3O3S — CID 24982245

IUPAC1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)CC1
InChIInChI=1S/C17H18F3N3O3S/c1-22-7-9-23(10-8-22)27(24,25)15-5-6-16(21-12-15)26-14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12H,7-10H2,1H3
InChIKeyHGSIJRDDWMECNH-UHFFFAOYSA-N
MW401.41 g/mol
LogP2.83
Rot. Bonds4

About 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine

1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine (PubChem CID 24982245) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine
PubChem CID24982245
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC Name1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)CC1
InChIInChI=1S/C17H18F3N3O3S/c1-22-7-9-23(10-8-22)27(24,25)15-5-6-16(21-12-15)26-14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12H,7-10H2,1H3
InChIKeyHGSIJRDDWMECNH-UHFFFAOYSA-N
XLogP2.83
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine?
The IUPAC name of 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine (CID 24982245) is 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine?
The canonical SMILES for 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine is CN1CCN(S(=O)(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)nc2)CC1.
What is the InChIKey of 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine?
The InChIKey is HGSIJRDDWMECNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c1-22-7-9-23(10-8-22)27(24,25)15-5-6-16(21-12-15)26-14-4-2-3-13(11-14)17(18,19)20/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine?
1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine has a molecular weight of 401.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]sulfonyl]piperazine is sourced from PubChem (CID 24982245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).