4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide

C17H24N4O3S — CID 110611345

IUPAC4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N4O3S/c1-2-7-19-25(23,24)21-10-8-20(9-11-21)17(22)12-14-13-18-16-6-4-3-5-15(14)16/h3-6,13,18-19H,2,7-12H2,1H3
InChIKeyOVBCFGOAYHNDAI-UHFFFAOYSA-N
MW364.47 g/mol
LogP1.10
Rot. Bonds6

About 4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide

4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide (PubChem CID 110611345) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide
PubChem CID110611345
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide
SMILESCCCNS(=O)(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N4O3S/c1-2-7-19-25(23,24)21-10-8-20(9-11-21)17(22)12-14-13-18-16-6-4-3-5-15(14)16/h3-6,13,18-19H,2,7-12H2,1H3
InChIKeyOVBCFGOAYHNDAI-UHFFFAOYSA-N
XLogP1.10
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone
CID 9496756
4-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511461
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide
CID 61252751
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
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 29136158
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide?
The IUPAC name of 4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide (CID 110611345) is 4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide is CCCNS(=O)(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide?
The InChIKey is OVBCFGOAYHNDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-2-7-19-25(23,24)21-10-8-20(9-11-21)17(22)12-14-13-18-16-6-4-3-5-15(14)16/h3-6,13,18-19H,2,7-12H2,1H3.
What are the key properties of 4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide?
4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)acetyl]-N-propylpiperazine-1-sulfonamide is sourced from PubChem (CID 110611345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).