1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine

C22H28N2O2S — CID 991812

IUPAC1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1C
InChIInChI=1S/C22H28N2O2S/c1-18-11-12-22(20(3)19(18)2)27(25,26)24-16-14-23(15-17-24)13-7-10-21-8-5-4-6-9-21/h4-12H,13-17H2,1-3H3/b10-7+
InChIKeySWFMUFMXPJWNPG-JXMROGBWSA-N
MW384.55 g/mol
LogP3.63
Rot. Bonds5

About 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine

1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine (PubChem CID 991812) has the molecular formula C22H28N2O2S and a molecular weight of 384.55 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
PubChem CID991812
Molecular FormulaC22H28N2O2S
Molecular Weight384.55 g/mol
Exact Mass384.19
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
SMILESCc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1C
InChIInChI=1S/C22H28N2O2S/c1-18-11-12-22(20(3)19(18)2)27(25,26)24-16-14-23(15-17-24)13-7-10-21-8-5-4-6-9-21/h4-12H,13-17H2,1-3H3/b10-7+
InChIKeySWFMUFMXPJWNPG-JXMROGBWSA-N
XLogP3.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.55
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2838259
1-(2,5-difluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683012
1-(4-methoxy-3-methylphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazine
CID 991809
1-(2-methyl-6-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 55908855
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 991810
1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 92681903
1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 6603683
1-benzyl-4-(2,3,4-trimethylphenyl)sulfonylpiperazin-1-ium
CID 6980440
N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
CID 56870555
1-(1,3-benzodioxol-5-ylsulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 113098287

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine (CID 991812) is 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine is Cc1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)c(C)c1C.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
The InChIKey is SWFMUFMXPJWNPG-JXMROGBWSA-N. The full InChI is InChI=1S/C22H28N2O2S/c1-18-11-12-22(20(3)19(18)2)27(25,26)24-16-14-23(15-17-24)13-7-10-21-8-5-4-6-9-21/h4-12H,13-17H2,1-3H3/b10-7+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine?
1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine has a molecular weight of 384.55 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine is sourced from PubChem (CID 991812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).