Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1ELG

Summary
Name:N-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyloxy)benzamide
Formula:C17 H13 F3 N4 O4 S2
Formal charge:0
Formula weight:458.435 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7~{N}-[5-[(3-methylphenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]-3-(trifluoromethyloxy)benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C17H13F3N4O4S2/c1-10-4-2-6-12(8-10)24-30(26,27)16-23-22-15(29-16)21-14(25)11-5-3-7-13(9-11)28-17(18,19)20/h2-9,24H,1H3,(H,21,22,25)
InChIKeyInChI1.06XHBDIMBSLVRCKA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1cccc(N[S](=O)(=O)c2sc(NC(=O)c3cccc(OC(F)(F)F)c3)nn2)c1
SMILESCACTVS3.385Cc1cccc(N[S](=O)(=O)c2sc(NC(=O)c3cccc(OC(F)(F)F)c3)nn2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3cccc(c3)OC(F)(F)F
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)NS(=O)(=O)c2nnc(s2)NC(=O)c3cccc(c3)OC(F)(F)F

250359

PDB entries from 2026-03-11

PDB statisticsPDBj update infoContact PDBjnumon