5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride

C17H20ClN5O2S — CID 120894905

IUPAC5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C17H19N5O2S.ClH/c1-21-9-8-20-17(21)15-12-19-7-10-22(15)25(23,24)16-4-2-3-13-11-18-6-5-14(13)16;/h2-6,8-9,11,15,19H,7,10,12H2,1H3;1H
InChIKeyLILLPUHFLHGMFH-UHFFFAOYSA-N
MW393.90 g/mol
LogP1.73
Rot. Bonds3

About 5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride

5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride (PubChem CID 120894905) has the molecular formula C17H20ClN5O2S and a molecular weight of 393.90 g/mol. Its IUPAC name is 5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride.

Molecular Properties

Compound Name5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride
PubChem CID120894905
Molecular FormulaC17H20ClN5O2S
Molecular Weight393.90 g/mol
Exact Mass393.10
IUPAC Name5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C17H19N5O2S.ClH/c1-21-9-8-20-17(21)15-12-19-7-10-22(15)25(23,24)16-4-2-3-13-11-18-6-5-14(13)16;/h2-6,8-9,11,15,19H,7,10,12H2,1H3;1H
InChIKeyLILLPUHFLHGMFH-UHFFFAOYSA-N
XLogP1.73
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(2-chloro-6-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894363
1-[2-(2-methoxyethoxy)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894537
1-(2,4-difluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894343
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-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
1-cyclopropylsulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895125
1-(5-chloro-2-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894890
1-(2-chloro-6-fluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894364
1-[2-fluoro-5-(trifluoromethyl)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895101

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride?
The IUPAC name of 5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride (CID 120894905) is 5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride.
What is the SMILES notation for 5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride?
The canonical SMILES for 5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride is Cl.Cn1ccnc1C1CNCCN1S(=O)(=O)c1cccc2cnccc12.
What is the InChIKey of 5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride?
The InChIKey is LILLPUHFLHGMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S.ClH/c1-21-9-8-20-17(21)15-12-19-7-10-22(15)25(23,24)16-4-2-3-13-11-18-6-5-14(13)16;/h2-6,8-9,11,15,19H,7,10,12H2,1H3;1H.
What are the key properties of 5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride?
5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride has a molecular weight of 393.90 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylisoquinoline;hydrochloride is sourced from PubChem (CID 120894905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).