4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide

C17H26N4O2S — CID 110608436

IUPAC4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H26N4O2S/c1-14(2)19-24(22,23)21-11-9-20(10-12-21)8-7-15-13-18-17-6-4-3-5-16(15)17/h3-6,13-14,18-19H,7-12H2,1-2H3
InChIKeyRTVXHNCSOJLKGB-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.57
Rot. Bonds6

About 4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide

4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide (PubChem CID 110608436) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide
PubChem CID110608436
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide
SMILESCC(C)NS(=O)(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H26N4O2S/c1-14(2)19-24(22,23)21-11-9-20(10-12-21)8-7-15-13-18-17-6-4-3-5-16(15)17/h3-6,13-14,18-19H,7-12H2,1-2H3
InChIKeyRTVXHNCSOJLKGB-UHFFFAOYSA-N
XLogP1.57
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-[2-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1H-indole
CID 110412529
3-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-1H-indole
CID 113074456
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
3-[2-[4-[(3-methylphenyl)methylsulfonyl]piperazin-1-yl]ethyl]-1H-indole
CID 110412528
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
3-[(4-methylsulfonylpiperazin-1-yl)methyl]-1H-indole
CID 878346
N-[2-(1H-indol-3-yl)ethyl]piperazine-1-sulfonamide
CID 61252751
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
N-cyclohexyl-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 110412461

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide (CID 110608436) is 4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide is CC(C)NS(=O)(=O)N1CCN(CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide?
The InChIKey is RTVXHNCSOJLKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-14(2)19-24(22,23)21-11-9-20(10-12-21)8-7-15-13-18-17-6-4-3-5-16(15)17/h3-6,13-14,18-19H,7-12H2,1-2H3.
What are the key properties of 4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide?
4-[2-(1H-indol-3-yl)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide has a molecular weight of 350.49 g/mol, XLogP of 1.57, 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)ethyl]-N-propan-2-ylpiperazine-1-sulfonamide is sourced from PubChem (CID 110608436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).