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

A1AU5

Summary
Name:N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide
Formula:C16 H15 Cl N2 O4 S
Formal charge:0
Formula weight:366.819 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(1-acetyl-2,3-dihydro-1H-indol-4-yl)-3-chloro-2-hydroxybenzene-1-sulfonamide
OpenEye OEToolkits2.0.73-chloranyl-~{N}-(1-ethanoyl-2,3-dihydroindol-4-yl)-2-oxidanyl-benzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1O)S(=O)(=O)Nc1cccc2c1CCN2C(C)=O
InChIInChI1.06InChI=1S/C16H15ClN2O4S/c1-10(20)19-9-8-11-13(5-3-6-14(11)19)18-24(22,23)15-7-2-4-12(17)16(15)21/h2-7,18,21H,8-9H2,1H3
InChIKeyInChI1.06OIXKKLRRYRMQMK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(=O)N1CCc2c(N[S](=O)(=O)c3cccc(Cl)c3O)cccc12
SMILESCACTVS3.385CC(=O)N1CCc2c(N[S](=O)(=O)c3cccc(Cl)c3O)cccc12
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)N1CCc2c1cccc2NS(=O)(=O)c3cccc(c3O)Cl
SMILESOpenEye OEToolkits2.0.7CC(=O)N1CCc2c1cccc2NS(=O)(=O)c3cccc(c3O)Cl

251801

PDB entries from 2026-04-08

PDB statisticsPDBj update infoContact PDBjnumon