4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine

C15H16F4N4O2S — CID 129004975

IUPAC4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1c1ncc[nH]1
InChIInChI=1S/C15H16F4N4O2S/c1-22-6-7-23(9-12(22)14-20-4-5-21-14)26(24,25)13-3-2-10(16)8-11(13)15(17,18)19/h2-5,8,12H,6-7,9H2,1H3,(H,20,21)
InChIKeyMHZBDXYEMIEBQN-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.24
Rot. Bonds3

About 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine

4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine (PubChem CID 129004975) has the molecular formula C15H16F4N4O2S and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine.

Molecular Properties

Compound Name4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
PubChem CID129004975
Molecular FormulaC15H16F4N4O2S
Molecular Weight392.38 g/mol
Exact Mass392.09
IUPAC Name4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1c1ncc[nH]1
InChIInChI=1S/C15H16F4N4O2S/c1-22-6-7-23(9-12(22)14-20-4-5-21-14)26(24,25)13-3-2-10(16)8-11(13)15(17,18)19/h2-5,8,12H,6-7,9H2,1H3,(H,20,21)
InChIKeyMHZBDXYEMIEBQN-UHFFFAOYSA-N
XLogP2.24
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine 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 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The IUPAC name of 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine (CID 129004975) is 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine.
What is the SMILES notation for 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The canonical SMILES for 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine is CN1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1c1ncc[nH]1.
What is the InChIKey of 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
The InChIKey is MHZBDXYEMIEBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N4O2S/c1-22-6-7-23(9-12(22)14-20-4-5-21-14)26(24,25)13-3-2-10(16)8-11(13)15(17,18)19/h2-5,8,12H,6-7,9H2,1H3,(H,20,21).
What are the key properties of 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine?
4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine has a molecular weight of 392.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonyl-2-(1H-imidazol-2-yl)-1-methylpiperazine is sourced from PubChem (CID 129004975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).