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

I7B

Summary
Name:4-AMINO-6-CHLOROBENZENE-1,3-DISULFONAMIDE
Formula:C6 H8 Cl N3 O4 S2
Formal charge:0
Formula weight:285.728 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-amino-6-chlorobenzene-1,3-disulfonamide
OpenEye OEToolkits1.5.04-amino-6-chloro-benzene-1,3-disulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=S(=O)(c1cc(c(cc1Cl)N)S(=O)(=O)N)N
SMILES_CANONICALCACTVS3.341Nc1cc(Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O
SMILESCACTVS3.341Nc1cc(Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N
SMILESOpenEye OEToolkits1.5.0c1c(c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N)N
InChIInChI1.03InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
InChIKeyInChI1.03IHJCXVZDYSXXFT-UHFFFAOYSA-N

218500

PDB entries from 2024-04-17

PDB statisticsPDBj update infoContact PDBjnumon