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QN4

Summary
Name:2-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
Formula:C13 H13 Cl N4 O4 S
Formal charge:0
Formula weight:356.785 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(5-chloro-6-oxopyridazin-1(6H)-yl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
OpenEye OEToolkits2.0.72-(5-chloranyl-6-oxidanylidene-pyridazin-1-yl)-~{N}-(4-methyl-3-sulfamoyl-phenyl)ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C=2C=NN(CC(Nc1ccc(c(c1)S(N)(=O)=O)C)=O)C(C=2Cl)=O
InChIInChI1.03InChI=1S/C13H13ClN4O4S/c1-8-2-3-9(6-11(8)23(15,21)22)17-12(19)7-18-13(20)10(14)4-5-16-18/h2-6H,7H2,1H3,(H,17,19)(H2,15,21,22)
InChIKeyInChI1.03SJCYOELGOMZSNG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1ccc(NC(=O)CN2N=CC=C(Cl)C2=O)cc1[S](N)(=O)=O
SMILESCACTVS3.385Cc1ccc(NC(=O)CN2N=CC=C(Cl)C2=O)cc1[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1ccc(cc1S(=O)(=O)N)NC(=O)CN2C(=O)C(=CC=N2)Cl
SMILESOpenEye OEToolkits2.0.7Cc1ccc(cc1S(=O)(=O)N)NC(=O)CN2C(=O)C(=CC=N2)Cl

218500

PDB entries from 2024-04-17

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