1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine

C11H13F3N2O2S — CID 2305612

IUPAC1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)9-2-1-3-10(8-9)19(17,18)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChIKeyHIYPETNTYHIVOH-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.30
Rot. Bonds2

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

1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 2305612) has the molecular formula C11H13F3N2O2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID2305612
Molecular FormulaC11H13F3N2O2S
Molecular Weight294.30 g/mol
Exact Mass294.06
IUPAC Name1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C11H13F3N2O2S/c12-11(13,14)9-2-1-3-10(8-9)19(17,18)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChIKeyHIYPETNTYHIVOH-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 2305612) is 1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is HIYPETNTYHIVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2S/c12-11(13,14)9-2-1-3-10(8-9)19(17,18)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 294.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 2305612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).