A1JBC

3,4-dichlorobenzenesulfonamide

Created:	2025-04-16
Last modified:	2026-02-18

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1 entries where A1JBC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	6

2D diagram of A1JBC

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Chemical Component Summary
Name	3,4-dichlorobenzenesulfonamide
Synonyms	3,4-bis(chloranyl)benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	3,4-bis(chloranyl)benzenesulfonamide
Formula	C₆ H₅ Cl₂ N O₂ S
Molecular Weight	226.08
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(Cl)c(Cl)c1
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1S(=O)(=O)N)Cl)Cl
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(Cl)c(Cl)c1
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1S(=O)(=O)N)Cl)Cl
InChI	InChI	1.06	InChI=1S/C6H5Cl2NO2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H,(H2,9,10,11)
InChIKey	InChI	1.06	ILLSOONBCBUBOD-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.