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

C25H26N2O3S — CID 92681903

IUPAC1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H26N2O3S/c28-31(29,25-15-13-24(14-16-25)30-23-11-5-2-6-12-23)27-20-18-26(19-21-27)17-7-10-22-8-3-1-4-9-22/h1-16H,17-21H2/b10-7+
InChIKeyBISYHRPGJUGQJD-JXMROGBWSA-N
MW434.56 g/mol
LogP4.50
Rot. Bonds7

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

1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 92681903) has the molecular formula C25H26N2O3S and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID92681903
Molecular FormulaC25H26N2O3S
Molecular Weight434.56 g/mol
Exact Mass434.17
IUPAC Name1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C25H26N2O3S/c28-31(29,25-15-13-24(14-16-25)30-23-11-5-2-6-12-23)27-20-18-26(19-21-27)17-7-10-22-8-3-1-4-9-22/h1-16H,17-21H2/b10-7+
InChIKeyBISYHRPGJUGQJD-JXMROGBWSA-N
XLogP4.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2838259
1-(3,4-dimethylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683006
1-(4-methoxy-3-methylphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazine
CID 991809
1-(4-methoxy-3-methylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 991810
2-(4-morpholin-4-ylsulfonylphenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 45372569
1-(1,3-benzodioxol-5-ylsulfonyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 113098287
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
1-(4-phenoxyphenyl)sulfonylpiperidine
CID 779936
1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 6603683
1-(2,5-difluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683012
1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
CID 991812
1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium
CID 4751871

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 92681903) is 1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is BISYHRPGJUGQJD-JXMROGBWSA-N. The full InChI is InChI=1S/C25H26N2O3S/c28-31(29,25-15-13-24(14-16-25)30-23-11-5-2-6-12-23)27-20-18-26(19-21-27)17-7-10-22-8-3-1-4-9-22/h1-16H,17-21H2/b10-7+.
What are the key properties of 1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 434.56 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 92681903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).