1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine

C19H22N2O2S — CID 2838259

IUPAC1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2S/c22-24(23,19-11-5-2-6-12-19)21-16-14-20(15-17-21)13-7-10-18-8-3-1-4-9-18/h1-12H,13-17H2
InChIKeyYLEXJEPWVDBYLA-UHFFFAOYSA-N
MW342.46 g/mol
LogP2.71
Rot. Bonds5

About 1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine

1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine (PubChem CID 2838259) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
PubChem CID2838259
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2S/c22-24(23,19-11-5-2-6-12-19)21-16-14-20(15-17-21)13-7-10-18-8-3-1-4-9-18/h1-12H,13-17H2
InChIKeyYLEXJEPWVDBYLA-UHFFFAOYSA-N
XLogP2.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 92681903
1-(3,4-dimethylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683006
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
1-(1,3-benzodioxol-5-ylsulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 113098287
1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 6603683
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 991810
1-(4-methoxy-3-methylphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazine
CID 991809
1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
CID 991812
1-(2,5-difluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683012
N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
CID 56870555
2-(4-morpholin-4-ylsulfonylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 45372569
1-(2-methyl-6-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 55908855

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine (CID 2838259) is 1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine is O=S(=O)(c1ccccc1)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine?
The InChIKey is YLEXJEPWVDBYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-24(23,19-11-5-2-6-12-19)21-16-14-20(15-17-21)13-7-10-18-8-3-1-4-9-18/h1-12H,13-17H2.
What are the key properties of 1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine?
1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine has a molecular weight of 342.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine is sourced from PubChem (CID 2838259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).