1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C15H20Cl2N4O2S — CID 120895215

IUPAC1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C15H19ClN4O2S.ClH/c1-11-12(16)4-3-5-14(11)23(21,22)20-9-6-17-10-13(20)15-18-7-8-19(15)2;/h3-5,7-8,13,17H,6,9-10H2,1-2H3;1H
InChIKeyDAMKPUGNGSTZJX-UHFFFAOYSA-N
MW391.32 g/mol
LogP2.14
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120895215) has the molecular formula C15H20Cl2N4O2S and a molecular weight of 391.32 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120895215
Molecular FormulaC15H20Cl2N4O2S
Molecular Weight391.32 g/mol
Exact Mass390.07
IUPAC Name1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C15H19ClN4O2S.ClH/c1-11-12(16)4-3-5-14(11)23(21,22)20-9-6-17-10-13(20)15-18-7-8-19(15)2;/h3-5,7-8,13,17H,6,9-10H2,1-2H3;1H
InChIKeyDAMKPUGNGSTZJX-UHFFFAOYSA-N
XLogP2.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;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-chlorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894581
1-(2-chloro-6-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894363
1-(2-chloro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120895074
1-(2-chloro-6-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894364
1-(2-chloro-4-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894952
1-(5-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894890
1-(4-chloro-2-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894990
5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride
CID 120894905
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894343
1-(5-chloro-2-nitrophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894684
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

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120895215) is 1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is Cc1c(Cl)cccc1S(=O)(=O)N1CCNCC1c1nccn1C.Cl.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is DAMKPUGNGSTZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S.ClH/c1-11-12(16)4-3-5-14(11)23(21,22)20-9-6-17-10-13(20)15-18-7-8-19(15)2;/h3-5,7-8,13,17H,6,9-10H2,1-2H3;1H.
What are the key properties of 1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 391.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120895215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).