1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride

C11H13Cl2F3N2O2S — CID 119961697

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H12ClF3N2O2S.ClH/c12-8-1-2-10(9(7-8)11(13,14)15)20(18,19)17-5-3-16-4-6-17;/h1-2,7,16H,3-6H2;1H
InChIKeyZNYBRASHYDHLHW-UHFFFAOYSA-N
MW365.20 g/mol
LogP2.37
Rot. Bonds2

About 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride

1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride (PubChem CID 119961697) has the molecular formula C11H13Cl2F3N2O2S and a molecular weight of 365.20 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
PubChem CID119961697
Molecular FormulaC11H13Cl2F3N2O2S
Molecular Weight365.20 g/mol
Exact Mass364.00
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCNCC1
InChIInChI=1S/C11H12ClF3N2O2S.ClH/c12-8-1-2-10(9(7-8)11(13,14)15)20(18,19)17-5-3-16-4-6-17;/h1-2,7,16H,3-6H2;1H
InChIKeyZNYBRASHYDHLHW-UHFFFAOYSA-N
XLogP2.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
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1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
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1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
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1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774
(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
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N-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990512
1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 2452153
1-(5-chloro-2-nitrophenyl)sulfonylpiperazine;hydrochloride
CID 119961906
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazine
CID 46644063
1-(6-chloronaphthalen-1-yl)sulfonylpiperazine
CID 54106854
1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepane;hydrochloride
CID 120999360
[4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 55352620

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride (CID 119961697) is 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride?
The InChIKey is ZNYBRASHYDHLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2S.ClH/c12-8-1-2-10(9(7-8)11(13,14)15)20(18,19)17-5-3-16-4-6-17;/h1-2,7,16H,3-6H2;1H.
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride?
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride has a molecular weight of 365.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 119961697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).