N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

C18H20N2O6S — CID 113102003

IUPACN-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCOc1cccc(OCCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1OC
InChIInChI=1S/C18H20N2O6S/c1-24-15-4-3-5-16(18(15)25-2)26-9-8-19-27(22,23)13-6-7-14-12(10-13)11-17(21)20-14/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21)
InChIKeyJZFFOHQKXNTEAK-UHFFFAOYSA-N
MW392.43 g/mol
LogP1.56
Rot. Bonds8

About N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide

N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 113102003) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID113102003
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC NameN-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCOc1cccc(OCCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1OC
InChIInChI=1S/C18H20N2O6S/c1-24-15-4-3-5-16(18(15)25-2)26-9-8-19-27(22,23)13-6-7-14-12(10-13)11-17(21)20-14/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21)
InChIKeyJZFFOHQKXNTEAK-UHFFFAOYSA-N
XLogP1.56
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]acetamide
CID 112992769
N-[(2-methoxy-5-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110779876
N-(3-aminopropyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 28754114
3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonylamino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 45106746
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 113101989
N-[4-(4-fluorophenyl)butyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110288772
N-(5-ethyl-2-methoxyphenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110777264
N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113083964
3,4-dimethoxy-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570747
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113098245
2-oxo-N-(thiophen-2-ylmethyl)-1,3-dihydroindole-5-sulfonamide
CID 6624556
N-[4-(2-methoxyethylamino)phenyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 112981006

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 113102003) is N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is COc1cccc(OCCNS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1OC.
What is the InChIKey of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is JZFFOHQKXNTEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-24-15-4-3-5-16(18(15)25-2)26-9-8-19-27(22,23)13-6-7-14-12(10-13)11-17(21)20-14/h3-7,10,19H,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide?
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 392.43 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 113102003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).