1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine

C19H21BrN2O2S — CID 71699306

IUPAC1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine
SMILESO=S(=O)(/C=C/c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O2S/c20-19-8-6-17(7-9-19)10-15-25(23,24)22-13-11-21(12-14-22)16-18-4-2-1-3-5-18/h1-10,15H,11-14,16H2/b15-10+
InChIKeyZRIOWGAHLQBMIG-XNTDXEJSSA-N
MW421.36 g/mol
LogP3.57
Rot. Bonds5

About 1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine

1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine (PubChem CID 71699306) has the molecular formula C19H21BrN2O2S and a molecular weight of 421.36 g/mol. Its IUPAC name is 1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine.

Molecular Properties

Compound Name1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine
PubChem CID71699306
Molecular FormulaC19H21BrN2O2S
Molecular Weight421.36 g/mol
Exact Mass420.05
IUPAC Name1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine
SMILESO=S(=O)(/C=C/c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O2S/c20-19-8-6-17(7-9-19)10-15-25(23,24)22-13-11-21(12-14-22)16-18-4-2-1-3-5-18/h1-10,15H,11-14,16H2/b15-10+
InChIKeyZRIOWGAHLQBMIG-XNTDXEJSSA-N
XLogP3.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.36
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-[(4-bromophenyl)carbonothioyl]piperazine
CID 2185493
(E)-1-benzyl-4-(styrylsulfonyl)piperazine
CID 882298
1-Benzyl-4-(benzylsulfonyl)piperazine
CID 669283
1-Benzylsulfonyl-4-[(4-bromophenyl)methyl]piperazine
CID 1340978
1-(3-Bromophenyl)sulfonyl-4-(2-phenylethyl)piperazine
CID 8142876
1-[(3-Methylphenyl)methyl]-4-[(phenylmethyl)sulfonyl]piperazine
CID 8163021
1-Benzylsulfonyl-4-[(3-fluorophenyl)methyl]piperazine
CID 9443040
1-Benzyl-4-[(3-methylbenzyl)sulfonyl]piperazine
CID 17741443
1-Benzyl-4-[(3-bromophenyl)methylsulfonyl]piperazine
CID 71699057
1-Benzyl-4-[(3-iodophenyl)methylsulfonyl]piperazine
CID 71699058
4-(3-Iodobenzyl)-1-(benzylsulfonyl)piperazine
CID 71699138
1-Benzyl-4-(2-phenylethylsulfonyl)piperazine
CID 71699221

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine?
The IUPAC name of 1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine (CID 71699306) is 1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine.
What is the SMILES notation for 1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine?
The canonical SMILES for 1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine is O=S(=O)(/C=C/c1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine?
The InChIKey is ZRIOWGAHLQBMIG-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H21BrN2O2S/c20-19-8-6-17(7-9-19)10-15-25(23,24)22-13-11-21(12-14-22)16-18-4-2-1-3-5-18/h1-10,15H,11-14,16H2/b15-10+.
What are the key properties of 1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine?
1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine has a molecular weight of 421.36 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(E)-2-(4-bromophenyl)ethenyl]sulfonylpiperazine is sourced from PubChem (CID 71699306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).