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EF6

Summary
Name:N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
Synonyms:Indisulam
Formula:C14 H12 Cl N3 O4 S2
Formal charge:0
Formula weight:385.846 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N~1~-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide
OpenEye OEToolkits2.0.7~{N}1-(3-chloranyl-1~{H}-indol-7-yl)benzene-1,4-disulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01N(S(=O)(c1ccc(cc1)S(N)(=O)=O)=O)c2cccc3c2ncc3Cl
InChIInChI1.03InChI=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)
InChIKeyInChI1.03SETFNECMODOHTO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc3c(Cl)c[nH]c23
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2cccc3c(Cl)c[nH]c23
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl
SMILESOpenEye OEToolkits2.0.7c1cc2c(c[nH]c2c(c1)NS(=O)(=O)c3ccc(cc3)S(=O)(=O)N)Cl

218500

PDB entries from 2024-04-17

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