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

C17H23BrN4O2S — CID 90561896

IUPAC1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
SMILESCCc1nccn1CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H23BrN4O2S/c1-2-17-19-7-8-21(17)12-9-20-10-13-22(14-11-20)25(23,24)16-5-3-15(18)4-6-16/h3-8H,2,9-14H2,1H3
InChIKeyBKSCKOTXUFCSEJ-UHFFFAOYSA-N
MW427.37 g/mol
LogP2.21
Rot. Bonds6

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

1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine (PubChem CID 90561896) has the molecular formula C17H23BrN4O2S and a molecular weight of 427.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
PubChem CID90561896
Molecular FormulaC17H23BrN4O2S
Molecular Weight427.37 g/mol
Exact Mass426.07
IUPAC Name1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
SMILESCCc1nccn1CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C17H23BrN4O2S/c1-2-17-19-7-8-21(17)12-9-20-10-13-22(14-11-20)25(23,24)16-5-3-15(18)4-6-16/h3-8H,2,9-14H2,1H3
InChIKeyBKSCKOTXUFCSEJ-UHFFFAOYSA-N
XLogP2.21
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561892
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine
CID 90561902
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-(5-ethylthiophen-2-yl)sulfonylpiperazine
CID 90561924
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-(4-tert-butylphenyl)sulfonyl-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90534091
1-(benzenesulfonyl)-4-[(1-propylimidazol-2-yl)methyl]piperazine
CID 56883312
1-[2-(2-ethylimidazol-1-yl)ethyl]-4-[(4-fluorophenyl)methylsulfonyl]piperazine
CID 90561951
1-[4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]sulfonylphenyl]ethanone
CID 90534081
1-(4-bromophenyl)sulfonyl-4-(2-methylsulfonylethyl)piperazine
CID 78787612
1-[2-(2-propan-2-ylimidazol-1-yl)ethyl]-4-(4-propylphenyl)sulfonylpiperazine
CID 90561440

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine (CID 90561896) is 1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine is CCc1nccn1CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine?
The InChIKey is BKSCKOTXUFCSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O2S/c1-2-17-19-7-8-21(17)12-9-20-10-13-22(14-11-20)25(23,24)16-5-3-15(18)4-6-16/h3-8H,2,9-14H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine?
1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine has a molecular weight of 427.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 90561896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).