indisulam   Click here for help

GtoPdb Ligand ID: 7046

Synonyms: E7070
PDB Ligand
Compound class: Synthetic organic
Comment: Indisulam is an anticancer sulfonamide in clinical development. This compound belongs to the family of carbonic anhydrase inhibitors.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 138.88
Molecular weight 385
XLogP 1.9
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Clc1c[nH]c2c1cccc2NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N
Isomeric SMILES Clc1c[nH]c2c1cccc2NS(=O)(=O)c1ccc(cc1)S(=O)(=O)N
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)
InChI Key SETFNECMODOHTO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
International Nonproprietary Names Click here for help
INN number INN
8199 indisulam
Synonyms Click here for help
E7070
Database Links Click here for help
CAS Registry No. 165668-41-7
ChEMBL Ligand CHEMBL77517
GtoPdb PubChem SID 178103625
PubChem CID 216468
RCSB PDB Ligand EF6
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Tocris
Indisulam
Cat. No. 6782