1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine

C11H11Cl2F3N2O2S — CID 26597060

IUPAC1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCNCC1
InChIInChI=1S/C11H11Cl2F3N2O2S/c12-8-5-7(11(14,15)16)6-9(13)10(8)21(19,20)18-3-1-17-2-4-18/h5-6,17H,1-4H2
InChIKeyGJZGGVGZKGOVAI-UHFFFAOYSA-N
MW363.19 g/mol
LogP2.61
Rot. Bonds2

About 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine

1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 26597060) has the molecular formula C11H11Cl2F3N2O2S and a molecular weight of 363.19 g/mol. Its IUPAC name is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID26597060
Molecular FormulaC11H11Cl2F3N2O2S
Molecular Weight363.19 g/mol
Exact Mass361.99
IUPAC Name1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCNCC1
InChIInChI=1S/C11H11Cl2F3N2O2S/c12-8-5-7(11(14,15)16)6-9(13)10(8)21(19,20)18-3-1-17-2-4-18/h5-6,17H,1-4H2
InChIKeyGJZGGVGZKGOVAI-UHFFFAOYSA-N
XLogP2.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.19
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 26597060) is 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1c(Cl)cc(C(F)(F)F)cc1Cl)N1CCNCC1.
What is the InChIKey of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is GJZGGVGZKGOVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3N2O2S/c12-8-5-7(11(14,15)16)6-9(13)10(8)21(19,20)18-3-1-17-2-4-18/h5-6,17H,1-4H2.
What are the key properties of 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 363.19 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 26597060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).