6YQ

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

Created:	2016-07-27
Last modified:	2017-08-16

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2 entries where 6YQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	16

2D diagram of 6YQ

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Chemical Component Summary
Name	4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	4-[2-(benzimidazol-1-yl)ethanoyl]-2-chloranyl-benzenesulfonamide
Formula	C₁₅ H₁₂ Cl N₃ O₃ S
Molecular Weight	349.792
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1Cl)C(=O)Cn2cnc3ccccc23
SMILES	OpenEye OEToolkits	2.0.5	c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	N[S](=O)(=O)c1ccc(cc1Cl)C(=O)Cn2cnc3ccccc23
Canonical SMILES	OpenEye OEToolkits	2.0.5	c1ccc2c(c1)ncn2CC(=O)c3ccc(c(c3)Cl)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C15H12ClN3O3S/c16-11-7-10(5-6-15(11)23(17,21)22)14(20)8-19-9-18-12-3-1-2-4-13(12)19/h1-7,9H,8H2,(H2,17,21,22)
InChIKey	InChI	1.03	SWJLGRBJIPSPCI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3798446
PubChem	127047846
ChEMBL	CHEMBL3798446

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.