2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone

C22H23N3O3S — CID 9496756

IUPAC2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H23N3O3S/c26-22(16-19-17-23-21-9-5-4-8-20(19)21)24-11-13-25(14-12-24)29(27,28)15-10-18-6-2-1-3-7-18/h1-10,15,17,23H,11-14,16H2/b15-10+
InChIKeyWYEAXYLKEAOLEN-XNTDXEJSSA-N
MW409.51 g/mol
LogP2.86
Rot. Bonds5

About 2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone (PubChem CID 9496756) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
PubChem CID9496756
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C22H23N3O3S/c26-22(16-19-17-23-21-9-5-4-8-20(19)21)24-11-13-25(14-12-24)29(27,28)15-10-18-6-2-1-3-7-18/h1-10,15,17,23H,11-14,16H2/b15-10+
InChIKeyWYEAXYLKEAOLEN-XNTDXEJSSA-N
XLogP2.86
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 7661831
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461
4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide
CID 110611345
5-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 46455552
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
2-(1H-indol-3-yl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 112765357
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 38083980
2-ethoxy-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 9496780
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone (CID 9496756) is 2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone is O=C(Cc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone?
The InChIKey is WYEAXYLKEAOLEN-XNTDXEJSSA-N. The full InChI is InChI=1S/C22H23N3O3S/c26-22(16-19-17-23-21-9-5-4-8-20(19)21)24-11-13-25(14-12-24)29(27,28)15-10-18-6-2-1-3-7-18/h1-10,15,17,23H,11-14,16H2/b15-10+.
What are the key properties of 2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone has a molecular weight of 409.51 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 9496756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).