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

C17H17F3N2O2S — CID 1281338

IUPAC1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)14-5-4-8-16(13-14)25(23,24)22-11-9-21(10-12-22)15-6-2-1-3-7-15/h1-8,13H,9-12H2
InChIKeyZHKKULATKFKMDJ-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.22
Rot. Bonds3

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

1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 1281338) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is 1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID1281338
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC Name1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)14-5-4-8-16(13-14)25(23,24)22-11-9-21(10-12-22)15-6-2-1-3-7-15/h1-8,13H,9-12H2
InChIKeyZHKKULATKFKMDJ-UHFFFAOYSA-N
XLogP3.22
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 1281338) is 1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is ZHKKULATKFKMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c18-17(19,20)14-5-4-8-16(13-14)25(23,24)22-11-9-21(10-12-22)15-6-2-1-3-7-15/h1-8,13H,9-12H2.
What are the key properties of 1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 370.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 1281338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).