1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

C21H26N2O3S — CID 8777959

IUPAC1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-18-10-11-20(26-2)21(17-18)27(24,25)23-15-13-22(14-16-23)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16H2,1-2H3/b9-6+
InChIKeyQENPTRZMBKPYEF-RMKNXTFCSA-N
MW386.52 g/mol
LogP3.02
Rot. Bonds6

About 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine

1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 8777959) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID8777959
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESCOc1ccc(C)cc1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H26N2O3S/c1-18-10-11-20(26-2)21(17-18)27(24,25)23-15-13-22(14-16-23)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16H2,1-2H3/b9-6+
InChIKeyQENPTRZMBKPYEF-RMKNXTFCSA-N
XLogP3.02
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 753266
1-[(6-Methoxy-2-naphthyl)sulfonyl]-4-methylpiperazine
CID 775829
1-Benzyl-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 2293923
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773
1-[(4-Methoxy-3-methylphenyl)sulfonyl]-4-methylpiperazine
CID 847009
1,4-Bis[(2-methoxy-5-methylphenyl)sulfonyl]-2-methylpiperazine
CID 2897110
1-(2-Methoxybenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1122338
1-(2-Methoxy-5-methyl-benzenesulfonyl)-4-methyl-piperidine
CID 646254
1-((5-Isopropyl-2-methoxyphenyl)sulfonyl)-4-methylpiperazine
CID 650490
1-Benzyl-4-(2-methoxy-5-methyl-benzenesulfonyl)-piperazine
CID 654169
1-((2-Methoxy-5-methylphenyl)sulfonyl)-4-phenylpiperazine
CID 775526
1-(5-Tert-butyl-2-methoxyphenyl)sulfonyl-4-methylpiperazine
CID 934666

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 8777959) is 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is COc1ccc(C)cc1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is QENPTRZMBKPYEF-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-18-10-11-20(26-2)21(17-18)27(24,25)23-15-13-22(14-16-23)12-6-9-19-7-4-3-5-8-19/h3-11,17H,12-16H2,1-2H3/b9-6+.
What are the key properties of 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 386.52 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 8777959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).