5XT

~{N}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide

Created:	2015-12-25
Last modified:	2016-11-02

Find Related PDB Entry
1 entries where 5XT 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	39
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	18

2D diagram of 5XT

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	~{N}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	~{N}-[3,4-bis(oxidanyl)phenyl]-4-phenyl-benzenesulfonamide
Formula	C₁₈ H₁₅ N O₄ S
Molecular Weight	341.381
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Oc1ccc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)cc1O
SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O
Canonical SMILES	CACTVS	3.385	Oc1ccc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)cc1O
Canonical SMILES	OpenEye OEToolkits	2.0.4	c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3ccc(c(c3)O)O
InChI	InChI	1.03	InChI=1S/C18H15NO4S/c20-17-11-8-15(12-18(17)21)19-24(22,23)16-9-6-14(7-10-16)13-4-2-1-3-5-13/h1-12,19-21H
InChIKey	InChI	1.03	OGGBNPCRZSBOOJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122198467

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.