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

C19H21ClN2O2S — CID 7510300

IUPAC1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2S/c20-18-10-4-5-11-19(18)25(23,24)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+
InChIKeyCDLJMVUQEOGXJD-RMKNXTFCSA-N
MW376.91 g/mol
LogP3.36
Rot. Bonds5

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

1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 7510300) has the molecular formula C19H21ClN2O2S and a molecular weight of 376.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID7510300
Molecular FormulaC19H21ClN2O2S
Molecular Weight376.91 g/mol
Exact Mass376.10
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O2S/c20-18-10-4-5-11-19(18)25(23,24)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+
InChIKeyCDLJMVUQEOGXJD-RMKNXTFCSA-N
XLogP3.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2838259
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
1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 10905934
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
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-(3,4-dimethylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683006
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 56800369
N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
CID 56870555
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(3-piperidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55463965

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 7510300) is 1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is O=S(=O)(c1ccccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is CDLJMVUQEOGXJD-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H21ClN2O2S/c20-18-10-4-5-11-19(18)25(23,24)22-15-13-21(14-16-22)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/b9-6+.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 376.91 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 7510300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).