1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C15H19ClF2N4O2S — CID 120894343

IUPAC1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCNCC2c2nccn2C)c(F)cc1F.Cl
InChIInChI=1S/C15H18F2N4O2S.ClH/c1-10-7-14(12(17)8-11(10)16)24(22,23)21-6-3-18-9-13(21)15-19-4-5-20(15)2;/h4-5,7-8,13,18H,3,6,9H2,1-2H3;1H
InChIKeyCXANTQXUNMZONH-UHFFFAOYSA-N
MW392.86 g/mol
LogP1.76
Rot. Bonds3

About 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120894343) has the molecular formula C15H19ClF2N4O2S and a molecular weight of 392.86 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120894343
Molecular FormulaC15H19ClF2N4O2S
Molecular Weight392.86 g/mol
Exact Mass392.09
IUPAC Name1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCc1cc(S(=O)(=O)N2CCNCC2c2nccn2C)c(F)cc1F.Cl
InChIInChI=1S/C15H18F2N4O2S.ClH/c1-10-7-14(12(17)8-11(10)16)24(22,23)21-6-3-18-9-13(21)15-19-4-5-20(15)2;/h4-5,7-8,13,18H,3,6,9H2,1-2H3;1H
InChIKeyCXANTQXUNMZONH-UHFFFAOYSA-N
XLogP1.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894344
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-(5-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894890
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895101
1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895103
2-(1-methylimidazol-2-yl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperazine;hydrochloride
CID 120894631
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
1-(2-chloro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120895074
1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894696
1-(2-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581
1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895215

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120894343) is 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is Cc1cc(S(=O)(=O)N2CCNCC2c2nccn2C)c(F)cc1F.Cl.
What is the InChIKey of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is CXANTQXUNMZONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2S.ClH/c1-10-7-14(12(17)8-11(10)16)24(22,23)21-6-3-18-9-13(21)15-19-4-5-20(15)2;/h4-5,7-8,13,18H,3,6,9H2,1-2H3;1H.
What are the key properties of 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 392.86 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120894343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).