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

C11H12ClF3N2O2S — CID 2452153

IUPAC1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(C(F)(F)F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C11H12ClF3N2O2S/c12-10-7-8(1-2-9(10)11(13,14)15)20(18,19)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2
InChIKeyBEMAYTJPVZIWFN-UHFFFAOYSA-N
MW328.74 g/mol
LogP1.95
Rot. Bonds2

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

1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine (PubChem CID 2452153) has the molecular formula C11H12ClF3N2O2S and a molecular weight of 328.74 g/mol. Its IUPAC name is 1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
PubChem CID2452153
Molecular FormulaC11H12ClF3N2O2S
Molecular Weight328.74 g/mol
Exact Mass328.03
IUPAC Name1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine
SMILESO=S(=O)(c1ccc(C(F)(F)F)c(Cl)c1)N1CCNCC1
InChIInChI=1S/C11H12ClF3N2O2S/c12-10-7-8(1-2-9(10)11(13,14)15)20(18,19)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2
InChIKeyBEMAYTJPVZIWFN-UHFFFAOYSA-N
XLogP1.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-piperazin-1-ylsulfonyl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 120999057
1-(3-chloro-4-fluorophenyl)sulfonyl-1,4-diazepane
CID 43361733
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 119961697
1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 119961668
2-chloro-4-(1,4-diazepan-1-ylsulfonyl)benzonitrile
CID 115752147
1-(3-fluoro-4-methylphenyl)sulfonylpiperazine;hydrochloride
CID 119961493
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazine;hydrochloride
CID 2758366
3-chloro-5-piperazin-1-ylsulfonyl-1H-pyridin-2-one
CID 95434185
4-[4-methyl-3-(trifluoromethyl)phenyl]sulfonylthiomorpholine
CID 52821226
1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-(4-fluorophenyl)sulfonylpiperidine
CID 90589940
3-piperazin-1-ylsulfonylbenzoic acid
CID 18801880
1-(2-chloro-4-fluorophenyl)sulfonylpiperazine;hydrochloride
CID 119961774

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The IUPAC name of 1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine (CID 2452153) is 1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine.
What is the SMILES notation for 1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The canonical SMILES for 1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine is O=S(=O)(c1ccc(C(F)(F)F)c(Cl)c1)N1CCNCC1.
What is the InChIKey of 1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine?
The InChIKey is BEMAYTJPVZIWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2S/c12-10-7-8(1-2-9(10)11(13,14)15)20(18,19)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2.
What are the key properties of 1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine?
1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine has a molecular weight of 328.74 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperazine is sourced from PubChem (CID 2452153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).