4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide

C22H24N4O4S — CID 56511461

IUPAC4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H24N4O4S/c23-31(29,30)18-7-5-16(6-8-18)13-21(27)25-9-11-26(12-10-25)22(28)14-17-15-24-20-4-2-1-3-19(17)20/h1-8,15,24H,9-14H2,(H2,23,29,30)
InChIKeySYECZCFTCZBGBW-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.27
Rot. Bonds5

About 4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide

4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 56511461) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID56511461
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H24N4O4S/c23-31(29,30)18-7-5-16(6-8-18)13-21(27)25-9-11-26(12-10-25)22(28)14-17-15-24-20-4-2-1-3-19(17)20/h1-8,15,24H,9-14H2,(H2,23,29,30)
InChIKeySYECZCFTCZBGBW-UHFFFAOYSA-N
XLogP1.27
TPSA116.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide with MolForge

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Related Compounds

2-(1H-indol-3-yl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 112765357
1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 7661831
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
1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 32770411
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 9496756
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide
CID 110611345
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 106671580

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 56511461) is 4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is SYECZCFTCZBGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c23-31(29,30)18-7-5-16(6-8-18)13-21(27)25-9-11-26(12-10-25)22(28)14-17-15-24-20-4-2-1-3-19(17)20/h1-8,15,24H,9-14H2,(H2,23,29,30).
What are the key properties of 4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide?
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 440.53 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 56511461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).