Y0R

5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide

Created:	2015-10-22
Last modified:	2015-11-11

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1 entries where Y0R is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	35
Aromatic Bond Count	16

2D diagram of Y0R

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Chemical Component Summary
Name	5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
Systematic Name (OpenEye OEToolkits)	5-[1-(4-methylphenyl)-1,2,3-triazol-4-yl]thiophene-2-sulfonamide
Formula	C₁₃ H₁₂ N₄ O₂ S₂
Molecular Weight	320.39
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(cc1)n2cc(nn2)c3sc(cc3)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N
Canonical SMILES	CACTVS	3.385	Cc1ccc(cc1)n2cc(nn2)c3sc(cc3)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1ccc(cc1)n2cc(nn2)c3ccc(s3)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C13H12N4O2S2/c1-9-2-4-10(5-3-9)17-8-11(15-16-17)12-6-7-13(20-12)21(14,18)19/h2-8H,1H3,(H2,14,18,19)
InChIKey	InChI	1.03	SEKFZZJSHYKIBE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL2414065
PubChem	71770791
ChEMBL	CHEMBL2414065

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.