2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride

C16H20ClF3N4O2S — CID 120894631

IUPAC2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C16H19F3N4O2S.ClH/c1-11-3-4-12(16(17,18)19)9-14(11)26(24,25)23-8-5-20-10-13(23)15-21-6-7-22(15)2;/h3-4,6-7,9,13,20H,5,8,10H2,1-2H3;1H
InChIKeyCPMZGAOBQFNSRL-UHFFFAOYSA-N
MW424.88 g/mol
LogP2.50
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride

2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride (PubChem CID 120894631) has the molecular formula C16H20ClF3N4O2S and a molecular weight of 424.88 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
PubChem CID120894631
Molecular FormulaC16H20ClF3N4O2S
Molecular Weight424.88 g/mol
Exact Mass424.09
IUPAC Name2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C16H19F3N4O2S.ClH/c1-11-3-4-12(16(17,18)19)9-14(11)26(24,25)23-8-5-20-10-13(23)15-21-6-7-22(15)2;/h3-4,6-7,9,13,20H,5,8,10H2,1-2H3;1H
InChIKeyCPMZGAOBQFNSRL-UHFFFAOYSA-N
XLogP2.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.88
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895101
1-(5-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894890
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894343
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894344
1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895103
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894952
1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894990
1-(2-chloro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120895074
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
1-(2-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581
1-(3-bromo-4-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894630
1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895215

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride (CID 120894631) is 2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride is Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCNCC1c1nccn1C.Cl.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride?
The InChIKey is CPMZGAOBQFNSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2S.ClH/c1-11-3-4-12(16(17,18)19)9-14(11)26(24,25)23-8-5-20-10-13(23)15-21-6-7-22(15)2;/h3-4,6-7,9,13,20H,5,8,10H2,1-2H3;1H.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride?
2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride has a molecular weight of 424.88 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120894631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).