N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide

C18H20N2O5S — CID 41342429

IUPACN-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc21
InChIInChI=1S/C18H20N2O5S/c1-4-20-15-7-5-13(9-12(15)10-18(20)21)19-26(22,23)17-11-14(24-2)6-8-16(17)25-3/h5-9,11,19H,4,10H2,1-3H3
InChIKeyZQQZLBVQGVHRNL-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.41
Rot. Bonds6

About N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide

N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide (PubChem CID 41342429) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide
PubChem CID41342429
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC NameN-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide
SMILESCCN1C(=O)Cc2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc21
InChIInChI=1S/C18H20N2O5S/c1-4-20-15-7-5-13(9-12(15)10-18(20)21)19-26(22,23)17-11-14(24-2)6-8-16(17)25-3/h5-9,11,19H,4,10H2,1-3H3
InChIKeyZQQZLBVQGVHRNL-UHFFFAOYSA-N
XLogP2.41
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide (CID 41342429) is N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide is CCN1C(=O)Cc2cc(NS(=O)(=O)c3cc(OC)ccc3OC)ccc21.
What is the InChIKey of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide?
The InChIKey is ZQQZLBVQGVHRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-4-20-15-7-5-13(9-12(15)10-18(20)21)19-26(22,23)17-11-14(24-2)6-8-16(17)25-3/h5-9,11,19H,4,10H2,1-3H3.
What are the key properties of N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide?
N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide has a molecular weight of 376.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxo-3H-indol-5-yl)-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 41342429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).