6YH

4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide

Created:	2016-07-26
Last modified:	2017-08-16

Find Related PDB Entry
2 entries where 6YH 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	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	16

2D diagram of 6YH

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-[2-(benzimidazol-1-yl)ethanoyl]benzenesulfonamide
Formula	C₁₅ H₁₃ N₃ O₃ S
Molecular Weight	315.347
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1)C(=O)Cn2cnc3ccccc23
SMILES	OpenEye OEToolkits	2.0.5	c1ccc2c(c1)ncn2CC(=O)c3ccc(cc3)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1)C(=O)Cn2cnc3ccccc23
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1ccc2c(c1)ncn2CC(=O)c3ccc(cc3)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C15H13N3O3S/c16-22(20,21)12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2,(H2,16,20,21)
InChIKey	InChI	1.03	OIERKPBIGGJOPY-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3797385
PubChem	127045752
ChEMBL	CHEMBL3797385

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.