1-Acetylindoline-5-sulfonamide

HCID 804208

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Basic information

CAS: 3264-38-8
Standard SMILES: CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIKey: CIIBOYDDEVWHOY-UHFFFAOYSA-N
Molecular formula: C10H12N2O3S
Average molar mass: 240.28 g/mol
Monoisotopic mass: 240.05686324

Names & identifiers

Preferred name: 1-Acetylindoline-5-sulfonamide
IUPAC: 1-acetyl-2,3-dihydroindole-5-sulfonamide
English name: 1-ACETYL-5-INDOLINESULFONAMIDE
Molecular formula: C10H12N2O3S
Molecular weight: 240.28

Names & synonyms

1-acetylindoline-5-sulfonamide3264-38-8DTXSID10355518RefChem:227342DTXCID403065781-acetyl-5-indolinesulfonamide1-acetyl-2,3-dihydroindole-5-sulfonamide1-Acetylindoline-5-sulphonamide1-acetyl-2,3-dihydro-1H-indole-5-sulfonamideMFCD01235910Cambridge id 7038170Oprea1_299769

Show more names

1H-Indole-5-sulfonamide, 1-acetyl-2,3-dihydro-1-Acetyl-2,3-dihydro-1H-indole-5-sulfonic acid amide1-Acetyl-2,3-dihydro-1H-indole-5-sulphonamide, 1-Acetyl-2,3-dihydro-5-sulphamoyl-1H-indole

SCHEMBL14058862CIIBOYDDEVWHOY-UHFFFAOYSA-NDAA26438GEO-03224SBB099280STK057953AKOS000138584GA-0810

Database identifiers

CAS: 3264-38-8
PubChem CID: 804208
DTXSID: DTXSID10355518
EC Number: 986-750-8

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 88.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 387

Physicochemical properties

Melting point: 225 · 225-227
Boiling point: 564.9 · 564.9±60.0 °C(Predicted)
Density: 1.415 · 1.415±0.06 g/cm3(Predicted)
pka: 10.06 · 10.06±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 280 · P280
Hazard Codes: Xi
HazardClass: IRRITANT
HS Code: 2935909099 · 2935909099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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.