2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride

C15H19ClN8O2S — CID 120895051

IUPAC2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H18N8O2S.ClH/c1-21-7-6-17-15(21)14-10-16-5-8-23(14)26(24,25)13-4-2-3-12(9-13)22-11-18-19-20-22;/h2-4,6-7,9,11,14,16H,5,8,10H2,1H3;1H
InChIKeyIZOCDXYMPCHRQM-UHFFFAOYSA-N
MW410.89 g/mol
LogP0.15
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride

2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride (PubChem CID 120895051) has the molecular formula C15H19ClN8O2S and a molecular weight of 410.89 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride
PubChem CID120895051
Molecular FormulaC15H19ClN8O2S
Molecular Weight410.89 g/mol
Exact Mass410.10
IUPAC Name2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C15H18N8O2S.ClH/c1-21-7-6-17-15(21)14-10-16-5-8-23(14)26(24,25)13-4-2-3-12(9-13)22-11-18-19-20-22;/h2-4,6-7,9,11,14,16H,5,8,10H2,1H3;1H
InChIKeyIZOCDXYMPCHRQM-UHFFFAOYSA-N
XLogP0.15
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride
CID 120763566
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 120894798
1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894696
1-(3-bromo-4-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894630
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894875
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
2-chloro-5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 120895229
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
1-[4-(2,2-difluoroethoxy)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894653
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 2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride (CID 120895051) is 2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1S(=O)(=O)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride?
The InChIKey is IZOCDXYMPCHRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2S.ClH/c1-21-7-6-17-15(21)14-10-16-5-8-23(14)26(24,25)13-4-2-3-12(9-13)22-11-18-19-20-22;/h2-4,6-7,9,11,14,16H,5,8,10H2,1H3;1H.
What are the key properties of 2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride?
2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride has a molecular weight of 410.89 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120895051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).