1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

C19H21BrN2O2S — CID 1041297

IUPAC1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O2S/c20-18-8-10-19(11-9-18)25(23,24)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2/b7-4+
InChIKeySCLQYQCKXUVXCA-QPJJXVBHSA-N
MW421.36 g/mol
LogP3.47
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 1041297) has the molecular formula C19H21BrN2O2S and a molecular weight of 421.36 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID1041297
Molecular FormulaC19H21BrN2O2S
Molecular Weight421.36 g/mol
Exact Mass420.05
IUPAC Name1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H21BrN2O2S/c20-18-8-10-19(11-9-18)25(23,24)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2/b7-4+
InChIKeySCLQYQCKXUVXCA-QPJJXVBHSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 1041297) is 1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is O=S(=O)(c1ccc(Br)cc1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is SCLQYQCKXUVXCA-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H21BrN2O2S/c20-18-8-10-19(11-9-18)25(23,24)22-15-13-21(14-16-22)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16H2/b7-4+.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 421.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 1041297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).