1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C17H25ClN4O3S — CID 120894767

IUPAC1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)N1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C17H24N4O3S.ClH/c1-12-9-13(2)16(15(10-12)24-4)25(22,23)21-8-5-18-11-14(21)17-19-6-7-20(17)3;/h6-7,9-10,14,18H,5,8,11H2,1-4H3;1H
InChIKeyWKZWJZGKBLSSTQ-UHFFFAOYSA-N
MW400.93 g/mol
LogP1.80
Rot. Bonds4

About 1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120894767) has the molecular formula C17H25ClN4O3S and a molecular weight of 400.93 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
PubChem CID120894767
Molecular FormulaC17H25ClN4O3S
Molecular Weight400.93 g/mol
Exact Mass400.13
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
SMILESCOc1cc(C)cc(C)c1S(=O)(=O)N1CCNCC1c1nccn1C.Cl
InChIInChI=1S/C17H24N4O3S.ClH/c1-12-9-13(2)16(15(10-12)24-4)25(22,23)21-8-5-18-11-14(21)17-19-6-7-20(17)3;/h6-7,9-10,14,18H,5,8,11H2,1-4H3;1H
InChIKeyWKZWJZGKBLSSTQ-UHFFFAOYSA-N
XLogP1.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895103
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894875
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
2-(1-methylimidazol-2-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazine;hydrochloride
CID 120895131
methyl 3-methoxy-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylbenzoate
CID 120894856
methyl 2-methyl-5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120894961
1-(2-chloro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120895074
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120894767) is 1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is COc1cc(C)cc(C)c1S(=O)(=O)N1CCNCC1c1nccn1C.Cl.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
The InChIKey is WKZWJZGKBLSSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S.ClH/c1-12-9-13(2)16(15(10-12)24-4)25(22,23)21-8-5-18-11-14(21)17-19-6-7-20(17)3;/h6-7,9-10,14,18H,5,8,11H2,1-4H3;1H.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?
1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 400.93 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120894767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).