2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride

C17H25ClN4O3S — CID 120763011

IUPAC2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1cn(C(C)C)cn1.Cl
InChIInChI=1S/C17H24N4O3S.ClH/c1-13(2)20-11-17(19-12-20)25(22,23)21-9-8-18-10-15(21)14-6-4-5-7-16(14)24-3;/h4-7,11-13,15,18H,8-10H2,1-3H3;1H
InChIKeyFHSFJOUGOOJNAJ-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride

2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride (PubChem CID 120763011) has the molecular formula C17H25ClN4O3S and a molecular weight of 400.93 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
PubChem CID120763011
Molecular FormulaC17H25ClN4O3S
Molecular Weight400.93 g/mol
Exact Mass400.13
IUPAC Name2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1S(=O)(=O)c1cn(C(C)C)cn1.Cl
InChIInChI=1S/C17H24N4O3S.ClH/c1-13(2)20-11-17(19-12-20)25(22,23)21-9-8-18-10-15(21)14-6-4-5-7-16(14)24-3;/h4-7,11-13,15,18H,8-10H2,1-3H3;1H
InChIKeyFHSFJOUGOOJNAJ-UHFFFAOYSA-N
XLogP2.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-fluorophenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 120764443
2-(2-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpiperazine;hydrochloride
CID 120763094
2-(2-methoxyphenyl)-1-(2-methylphenyl)sulfonylpiperazine;hydrochloride
CID 120763471
2-(2-methoxyphenyl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 120763359
1-(2,4-difluorophenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763166
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120763453
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(2-methoxyphenyl)piperazine
CID 120763175
2-(1-methylimidazol-2-yl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine
CID 120894828
N,N-diethyl-2-(2-methoxyphenyl)piperazine-1-sulfonamide;hydrochloride
CID 120763279
(2S)-2-(2-methoxyphenyl)-1-pyridin-3-ylsulfonylpiperazine
CID 124971463
1-(2-chloro-5-methoxyphenyl)sulfonyl-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120763257
3-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1H-pyrrolo[2,3-b]pyridine;hydrochloride
CID 120763492

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride (CID 120763011) is 2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride is COc1ccccc1C1CNCCN1S(=O)(=O)c1cn(C(C)C)cn1.Cl.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
The InChIKey is FHSFJOUGOOJNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S.ClH/c1-13(2)20-11-17(19-12-20)25(22,23)21-9-8-18-10-15(21)14-6-4-5-7-16(14)24-3;/h4-7,11-13,15,18H,8-10H2,1-3H3;1H.
What are the key properties of 2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride?
2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride has a molecular weight of 400.93 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120763011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).