7TI

4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide

Created:	2021-08-31
Last modified:	2022-09-07

Find Related PDB Entry
2 entries where 7TI is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	6

2D diagram of 7TI

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide
Synonyms	clorsulon
Systematic Name (OpenEye OEToolkits)	4-azanyl-6-[1,2,2-tris(chloranyl)ethenyl]benzene-1,3-disulfonamide
Formula	C₈ H₈ Cl₃ N₃ O₄ S₂
Molecular Weight	380.656
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Nc1cc(C(Cl)=C(Cl)Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl
Canonical SMILES	CACTVS	3.385	Nc1cc(C(Cl)=C(Cl)Cl)c(cc1[S](N)(=O)=O)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1c(c(cc(c1N)S(=O)(=O)N)S(=O)(=O)N)C(=C(Cl)Cl)Cl
InChI	InChI	1.03	InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)
InChIKey	InChI	1.03	QOVTVIYTBRHADL-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB11389
Name	Clorsulon
Groups	vet_approved
Synonyms	Clorsulon
Categories	Amides Amines Aniline Compounds Anthelmintics Anti-Infective Agents Antiparasitic Agents Antiplatyhelmintic Agents Sulfonamides Sulfones Sulfur Compounds
CAS number	60200-06-8

Related Resource References

Resource Name	Reference
PubChem	43231
ChEMBL	CHEMBL1474129
ChEBI	CHEBI:94811

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.