1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride

C12H15Cl2F3N2O2S — CID 119982070

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1.Cl
InChIInChI=1S/C12H14ClF3N2O2S.ClH/c1-8-7-18(5-4-17-8)21(19,20)11-3-2-9(13)6-10(11)12(14,15)16;/h2-3,6,8,17H,4-5,7H2,1H3;1H
InChIKeyMZCATOYUMUIMNO-UHFFFAOYSA-N
MW379.23 g/mol
LogP2.76
Rot. Bonds2

About 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride

1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 119982070) has the molecular formula C12H15Cl2F3N2O2S and a molecular weight of 379.23 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID119982070
Molecular FormulaC12H15Cl2F3N2O2S
Molecular Weight379.23 g/mol
Exact Mass378.02
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1.Cl
InChIInChI=1S/C12H14ClF3N2O2S.ClH/c1-8-7-18(5-4-17-8)21(19,20)11-3-2-9(13)6-10(11)12(14,15)16;/h2-3,6,8,17H,4-5,7H2,1H3;1H
InChIKeyMZCATOYUMUIMNO-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 119961697
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 119982241
(3S)-1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-ol
CID 79031548
1-(2,5-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981939
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-ol
CID 43394334
1-(2-chloro-4-nitrophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982016
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434
N-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990512

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride (CID 119982070) is 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride is CC1CN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CCN1.Cl.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is MZCATOYUMUIMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2S.ClH/c1-8-7-18(5-4-17-8)21(19,20)11-3-2-9(13)6-10(11)12(14,15)16;/h2-3,6,8,17H,4-5,7H2,1H3;1H.
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride has a molecular weight of 379.23 g/mol, XLogP of 2.76, 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]sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119982070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).