1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride

C12H15ClF4N2O2S — CID 119982241

IUPAC1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCN1.Cl
InChIInChI=1S/C12H14F4N2O2S.ClH/c1-8-7-18(5-4-17-8)21(19,20)11-6-9(12(14,15)16)2-3-10(11)13;/h2-3,6,8,17H,4-5,7H2,1H3;1H
InChIKeyBEZCRAPTTFFUOX-UHFFFAOYSA-N
MW362.78 g/mol
LogP2.25
Rot. Bonds2

About 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride

1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride (PubChem CID 119982241) has the molecular formula C12H15ClF4N2O2S and a molecular weight of 362.78 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
PubChem CID119982241
Molecular FormulaC12H15ClF4N2O2S
Molecular Weight362.78 g/mol
Exact Mass362.05
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
SMILESCC1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCN1.Cl
InChIInChI=1S/C12H14F4N2O2S.ClH/c1-8-7-18(5-4-17-8)21(19,20)11-6-9(12(14,15)16)2-3-10(11)13;/h2-3,6,8,17H,4-5,7H2,1H3;1H
InChIKeyBEZCRAPTTFFUOX-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-fluoro-5-(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-(2,5-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981939
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride
CID 119982070
(3R)-3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 59152114
1-(2,4-difluoro-5-methylphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981915
3-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 119989580
(3S)-1-(4-bromo-2-fluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 120713063
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 10566988
1-(2,5-dichlorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981931
1-(2,6-difluorophenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119981797
(3R)-1-(2-bromo-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 104975070
1-(3-chloro-4-fluorophenyl)sulfonyl-3-methylpiperazine
CID 65448434

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride (CID 119982241) is 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride is CC1CN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CCN1.Cl.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
The InChIKey is BEZCRAPTTFFUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2S.ClH/c1-8-7-18(5-4-17-8)21(19,20)11-6-9(12(14,15)16)2-3-10(11)13;/h2-3,6,8,17H,4-5,7H2,1H3;1H.
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride?
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride has a molecular weight of 362.78 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-3-methylpiperazine;hydrochloride is sourced from PubChem (CID 119982241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).