1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

C21H25FN2O2S — CID 110296962

IUPAC1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(CCc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H25FN2O2S/c22-21-11-5-4-10-20(21)12-18-27(25,26)24-16-14-23(15-17-24)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2/b9-6+
InChIKeyCONVHPYZWMVWAC-RMKNXTFCSA-N
MW388.51 g/mol
LogP3.03
Rot. Bonds7

About 1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine

1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (PubChem CID 110296962) has the molecular formula C21H25FN2O2S and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
PubChem CID110296962
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC Name1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
SMILESO=S(=O)(CCc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H25FN2O2S/c22-21-11-5-4-10-20(21)12-18-27(25,26)24-16-14-23(15-17-24)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2/b9-6+
InChIKeyCONVHPYZWMVWAC-RMKNXTFCSA-N
XLogP3.03
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.03
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-(2,5-difluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683012
1-[4-[2-(2-fluorophenyl)ethylsulfonyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110420553
2-(2-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994571
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 92681903
N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
CID 56870555
1-[(2,4-difluorophenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 2838695
N-(2-fluorophenyl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propanamide
CID 51168075
1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 6603683
1-[2-(2-chlorophenyl)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 56800369
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-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The IUPAC name of 1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine (CID 110296962) is 1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The canonical SMILES for 1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is O=S(=O)(CCc1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
The InChIKey is CONVHPYZWMVWAC-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c22-21-11-5-4-10-20(21)12-18-27(25,26)24-16-14-23(15-17-24)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2/b9-6+.
What are the key properties of 1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine?
1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine has a molecular weight of 388.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)ethylsulfonyl]-4-[(E)-3-phenylprop-2-enyl]piperazine is sourced from PubChem (CID 110296962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).