(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine

C15H17F3N4O3S — CID 129333818

IUPAC(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C15H17F3N4O3S/c1-21-8-9-22(10-11(21)14-19-6-7-20-14)26(23,24)13-5-3-2-4-12(13)25-15(16,17)18/h2-7,11H,8-10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyMUXOPRHCTQSOMX-LLVKDONJSA-N
MW390.39 g/mol
LogP1.99
Rot. Bonds4

About (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine

(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine (PubChem CID 129333818) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
PubChem CID129333818
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC Name(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine
SMILESCN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@@H]1c1ncc[nH]1
InChIInChI=1S/C15H17F3N4O3S/c1-21-8-9-22(10-11(21)14-19-6-7-20-14)26(23,24)13-5-3-2-4-12(13)25-15(16,17)18/h2-7,11H,8-10H2,1H3,(H,19,20)/t11-/m1/s1
InChIKeyMUXOPRHCTQSOMX-LLVKDONJSA-N
XLogP1.99
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The IUPAC name of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine (CID 129333818) is (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine.
What is the SMILES notation for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The canonical SMILES for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine is CN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)C[C@@H]1c1ncc[nH]1.
What is the InChIKey of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine?
The InChIKey is MUXOPRHCTQSOMX-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-21-8-9-22(10-11(21)14-19-6-7-20-14)26(23,24)13-5-3-2-4-12(13)25-15(16,17)18/h2-7,11H,8-10H2,1H3,(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine?
(2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine has a molecular weight of 390.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-imidazol-2-yl)-1-methyl-4-[2-(trifluoromethoxy)phenyl]sulfonylpiperazine is sourced from PubChem (CID 129333818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).