4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride

C16H24ClN5O3S — CID 120870468

IUPAC4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H23N5O3S.ClH/c1-20-8-7-19-16(20)15-12-18-6-9-21(15)10-11-24-13-2-4-14(5-3-13)25(17,22)23;/h2-5,7-8,15,18H,6,9-12H2,1H3,(H2,17,22,23);1H
InChIKeyJENWHXAMMIECCK-UHFFFAOYSA-N
MW401.92 g/mol
LogP0.51
Rot. Bonds6

About 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride

4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride (PubChem CID 120870468) has the molecular formula C16H24ClN5O3S and a molecular weight of 401.92 g/mol. Its IUPAC name is 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
PubChem CID120870468
Molecular FormulaC16H24ClN5O3S
Molecular Weight401.92 g/mol
Exact Mass401.13
IUPAC Name4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CCOc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C16H23N5O3S.ClH/c1-20-8-7-19-16(20)15-12-18-6-9-21(15)10-11-24-13-2-4-14(5-3-13)25(17,22)23;/h2-5,7-8,15,18H,6,9-12H2,1H3,(H2,17,22,23);1H
InChIKeyJENWHXAMMIECCK-UHFFFAOYSA-N
XLogP0.51
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-methylimidazol-2-yl)-1-[2-(4-methylsulfonylphenoxy)ethyl]piperazine
CID 120871041
N,N-dimethyl-4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide
CID 120870475
1-[2-(4-methoxyphenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871137
2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 120870925
4-[2-(2-pyridin-3-ylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 120755301
2-(1-methylimidazol-2-yl)-1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]piperazine;hydrochloride
CID 120870422
4-[2-[2-(3-fluorophenyl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride
CID 120756712
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
1-[2-(2,6-dichlorophenoxy)ethyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870426
1-[4-(2,2-difluoroethoxy)phenyl]sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894653
1-[2-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]phenyl]ethanone;hydrochloride
CID 120869765
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-(3-sulfamoylphenyl)propanamide
CID 120869826

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride (CID 120870468) is 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride is Cl.Cn1ccnc1C1CNCCN1CCOc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride?
The InChIKey is JENWHXAMMIECCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S.ClH/c1-20-8-7-19-16(20)15-12-18-6-9-21(15)10-11-24-13-2-4-14(5-3-13)25(17,22)23;/h2-5,7-8,15,18H,6,9-12H2,1H3,(H2,17,22,23);1H.
What are the key properties of 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride?
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride has a molecular weight of 401.92 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethoxy]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120870468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).