indisulam (CHEBI:145431)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	indisulam

ChEBI ID	CHEBI:145431

Definition	A chloroindole that is 3-chloro-1H-indole substituted by a [(4-sulfamoylphenyl)sulfonyl]nitrilo group at position 7. It is a carbonic anhydrase inhibitor and a potential anti-cancer agent currently in clinical development.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C14H12ClN3O4S2

Net Charge

Average Mass

385.840

Monoisotopic Mass

384.99578

InChI

InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)

InChIKey

SETFNECMODOHTO-UHFFFAOYSA-N

SMILES

C=1C=CC(=C2NC=C(C12)Cl)NS(C3=CC=C(C=C3)S(N)(=O)=O)(=O)=O

Roles Classification
Biological Role(s):	EC 4.2.1.1 (carbonic anhydrase) inhibitor An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the action of carbonic anhydrase (EC 4.2.1.1). Such compounds reduce the secretion of H+ ions by the proximal kidney tubule.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	indisulam (CHEBI:145431) has role antineoplastic agent (CHEBI:35610) indisulam (CHEBI:145431) has role EC 4.2.1.1 (carbonic anhydrase) inhibitor (CHEBI:23018) indisulam (CHEBI:145431) is a chloroindole (CHEBI:52508) indisulam (CHEBI:145431) is a organochlorine compound (CHEBI:36683) indisulam (CHEBI:145431) is a sulfonamide (CHEBI:35358)

IUPAC Name

N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide

Synonyms	Sources
E-7070	DrugBank
E7070	DrugBank
N-(3-chloro-1H-indol-7-yl)-4-sulfamoylbenzenesulfonamide	ChEBI
N¹-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide	IUPAC

Registry Number	Type	Source
165668-41-7	CAS Registry Number	ChemIDplus

Last Modified

15 April 2021