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

R1S

Summary
Name:N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide
Formula:C15 H9 Cl N2 O2 S3
Formal charge:0
Formula weight:380.892 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-(6-chloro-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide
OpenEye OEToolkits1.7.6N-(6-chloranyl-1,3-benzothiazol-2-yl)-1-benzothiophene-3-sulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(=O)(c1c2ccccc2sc1)Nc3nc4ccc(Cl)cc4s3
InChIInChI1.03InChI=1S/C15H9ClN2O2S3/c16-9-5-6-11-13(7-9)22-15(17-11)18-23(19,20)14-8-21-12-4-2-1-3-10(12)14/h1-8H,(H,17,18)
InChIKeyInChI1.03VLGMTYRMKMVUHJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Clc1ccc2nc(N[S](=O)(=O)c3csc4ccccc34)sc2c1
SMILESCACTVS3.385Clc1ccc2nc(N[S](=O)(=O)c3csc4ccccc34)sc2c1
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)c(cs2)S(=O)(=O)Nc3nc4ccc(cc4s3)Cl

218853

PDB entries from 2024-04-24

PDB statisticsPDBj update infoContact PDBjnumon