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Summary Geometry Related PDB entries

TZJ

Summary

Name:	N-(2,1,3-benzothiadiazol-4-yl)-2,5-dichlorothiophene-3-sulfonamide
Formula:	C10 H5 Cl2 N3 O2 S3
Formal charge:	0
Formula weight:	366.267 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-(2,1,3-benzothiadiazol-4-yl)-2,5-dichlorothiophene-3-sulfonamide
OpenEye OEToolkits	2.0.7	~{N}-(2,1,3-benzothiadiazol-4-yl)-2,5-bis(chloranyl)thiophene-3-sulfonamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Clc1cc(c(Cl)s1)S(=O)(=O)Nc1cccc2nsnc12
InChI	InChI	1.06	InChI=1S/C10H5Cl2N3O2S3/c11-8-4-7(10(12)18-8)20(16,17)15-6-3-1-2-5-9(6)14-19-13-5/h1-4,15H
InChIKey	InChI	1.06	NMTCNEQKSRYVGC-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Clc1sc(Cl)c(c1)[S](=O)(=O)Nc2cccc3nsnc23
SMILES	CACTVS	3.385	Clc1sc(Cl)c(c1)[S](=O)(=O)Nc2cccc3nsnc23
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)NS(=O)(=O)c3cc(sc3Cl)Cl)nsn2
SMILES	OpenEye OEToolkits	2.0.7	c1cc2c(c(c1)NS(=O)(=O)c3cc(sc3Cl)Cl)nsn2

223532

PDB entries from 2024-08-07

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