N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide

C20H25N3O2S — CID 56870555

IUPACN-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c24-26(25,21-18-20-10-5-2-6-11-20)23-16-14-22(15-17-23)13-7-12-19-8-3-1-4-9-19/h1-12,21H,13-18H2/b12-7+
InChIKeyNXHBHZTUKSSVIA-KPKJPENVSA-N
MW371.51 g/mol
LogP2.35
Rot. Bonds7

About N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide

N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide (PubChem CID 56870555) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide.

Molecular Properties

Compound NameN-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
PubChem CID56870555
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide
SMILESO=S(=O)(NCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H25N3O2S/c24-26(25,21-18-20-10-5-2-6-11-20)23-16-14-22(15-17-23)13-7-12-19-8-3-1-4-9-19/h1-12,21H,13-18H2/b12-7+
InChIKeyNXHBHZTUKSSVIA-KPKJPENVSA-N
XLogP2.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-4-(3-phenylprop-2-enyl)piperazine
CID 2838259
N-benzylpiperidine-1-sulfonamide
CID 2989594
1-(2-chlorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 7510300
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
2-phenyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 2839064
1-[(E)-3-phenylprop-2-enyl]-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 6603683
1-(4-phenoxyphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 92681903
1-(2,5-difluorophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683012
1-(3,4-dimethylphenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 19683006
1-[(E)-3-phenylprop-2-enyl]-4-(2,3,4-trimethylphenyl)sulfonylpiperazine
CID 991812
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide?
The IUPAC name of N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide (CID 56870555) is N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide.
What is the SMILES notation for N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide?
The canonical SMILES for N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide is O=S(=O)(NCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide?
The InChIKey is NXHBHZTUKSSVIA-KPKJPENVSA-N. The full InChI is InChI=1S/C20H25N3O2S/c24-26(25,21-18-20-10-5-2-6-11-20)23-16-14-22(15-17-23)13-7-12-19-8-3-1-4-9-19/h1-12,21H,13-18H2/b12-7+.
What are the key properties of N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide?
N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide has a molecular weight of 371.51 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(E)-3-phenylprop-2-enyl]piperazine-1-sulfonamide is sourced from PubChem (CID 56870555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).