Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

QTD

Summary
Name:4-phenoxybenzene-1-sulfonamide
Formula:C12 H11 N O3 S
Formal charge:0
Formula weight:249.286 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-phenoxybenzene-1-sulfonamide
OpenEye OEToolkits2.0.74-phenoxybenzenesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c2(Oc1ccc(S(N)(=O)=O)cc1)ccccc2
InChIInChI1.03InChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKeyInChI1.03JVMQLNXAPHLKDV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(Oc2ccccc2)cc1
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(Oc2ccccc2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)Oc2ccc(cc2)S(=O)(=O)N

222415

数据于2024-07-10公开中

PDB statisticsPDBj update infoContact PDBjnumon