1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine

C17H24N4O2S — CID 90561892

IUPAC1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
SMILESCCc1nccn1CCN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N4O2S/c1-2-17-18-8-9-20(17)13-10-19-11-14-21(15-12-19)24(22,23)16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3
InChIKeyINXVAALQFZJINW-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.45
Rot. Bonds6

About 1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine

1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine (PubChem CID 90561892) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
PubChem CID90561892
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
SMILESCCc1nccn1CCN1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H24N4O2S/c1-2-17-18-8-9-20(17)13-10-19-11-14-21(15-12-19)24(22,23)16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3
InChIKeyINXVAALQFZJINW-UHFFFAOYSA-N
XLogP1.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561896
1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
CID 56883312
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 90561924
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561902
4-[2-(2-ethylimidazol-1-yl)ethyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 90561908
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-methylsulfonyl-1,4-diazepane
CID 91834484
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 91839151
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine
CID 90561951
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(3-fluorophenyl)methylsulfonyl]piperazine
CID 90561950
1-(4-tert-butylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534091
1-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 90534081
benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90561830

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine (CID 90561892) is 1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine is CCc1nccn1CCN1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine?
The InChIKey is INXVAALQFZJINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-2-17-18-8-9-20(17)13-10-19-11-14-21(15-12-19)24(22,23)16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine?
1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine has a molecular weight of 348.47 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 90561892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).