1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide

C13H18N2O4S — CID 39419247

IUPAC1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N(C)CCO)ccc21
InChIInChI=1S/C13H18N2O4S/c1-10(17)15-6-5-11-9-12(3-4-13(11)15)20(18,19)14(2)7-8-16/h3-4,9,16H,5-8H2,1-2H3
InChIKeyRKUAYJDIOHHIOL-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.21
Rot. Bonds4

About 1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 39419247) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID39419247
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N(C)CCO)ccc21
InChIInChI=1S/C13H18N2O4S/c1-10(17)15-6-5-11-9-12(3-4-13(11)15)20(18,19)14(2)7-8-16/h3-4,9,16H,5-8H2,1-2H3
InChIKeyRKUAYJDIOHHIOL-UHFFFAOYSA-N
XLogP0.21
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-N-[2-(4-bromophenoxy)ethyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 17488819
1-acetyl-N-butyl-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46361610
1-acetyl-N-(1-hydroxypropan-2-yl)-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 115776398
1-acetyl-N-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 5299723
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710
4-[5-[butyl(methyl)sulfamoyl]-2,3-dihydroindol-1-yl]-4-oxobutanoic acid
CID 20864308
1-acetyl-N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 26541895
1-acetyl-N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435716
1-acetyl-N-methyl-N-[2-(oxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 110604959
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
(1-acetyl-2,3-dihydroindol-5-yl)sulfonylformamide
CID 117038028
N-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl-methylamino]propyl]prop-2-enamide
CID 89237716

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide (CID 39419247) is 1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)N(C)CCO)ccc21.
What is the InChIKey of 1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RKUAYJDIOHHIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-10(17)15-6-5-11-9-12(3-4-13(11)15)20(18,19)14(2)7-8-16/h3-4,9,16H,5-8H2,1-2H3.
What are the key properties of 1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 298.36 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-hydroxyethyl)-N-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 39419247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).