2-Oxoindoline-5-sulfonamide

HCID 10198232

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 175075-24-8
Standard SMILES: NS(=O)(=O)c1ccc2c(c1)CC(=O)N2
InChIKey: PJRWVQFEVVSTKZ-UHFFFAOYSA-N
Molecular formula: C8H8N2O3S
Average molar mass: 212.23 g/mol
Monoisotopic mass: 212.02556312

Names & identifiers

Preferred name: 2-Oxoindoline-5-sulfonamide
IUPAC: 2-oxo-1,3-dihydroindole-5-sulfonamide
English name: 5-Aminosulfonyl-2-Ox-Indole
Molecular formula: C8H8N2O3S
Molecular weight: 212.23

Names & synonyms

175075-24-82-oxoindoline-5-sulfonamideDTXSID20436660RefChem:264949DTXCID003874842,3-DIHYDRO-2-OXO-1H-INDOLE-5-SULFONAMIDE2-oxo-2,3-dihydro-1H-indole-5-sulfonamide2-Oxo-2,3-dihydro-1H-indole-5-sulfonic acid amideMFCD058444621H-Indole-5-sulfonamide, 2,3-dihydro-2-oxo-2-oxo-1,3-dihydroindole-5-sulfonamide5-Aminosulfonyl-2-oxindole

Show more names

5-Aminosulfonyl-2-Ox-Indole

5-Aminosulfonyl-2-indolinoneoxindole-5-sulfonamide5-aminosulphonyloxindole5-sulfamoyl-2-oxindole5-aminosulfonylindolin-2-oneSCHEMBL689168PJRWVQFEVVSTKZ-UHFFFAOYSA-NAKOS000149701

Database identifiers

CAS: 175075-24-8
PubChem CID: 10198232
DTXSID: DTXSID20436660
EC Number: 984-946-8

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 97.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 346

Physicochemical properties

Density: 1.515 · 1.515±0.06 g/cm3(Predicted)
solubility: Dichloromethane, DMSO, THF
pka: 9.82 · 9.82±0.20(Predicted)
form: Solid
color: Light-Brown

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.