WWZ

4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide

Created:	2010-05-26
Last modified:	2011-06-04

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3 entries where WWZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	12

2D diagram of WWZ

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Chemical Component Summary
Name	4-{[(4-fluorophenyl)carbamoyl]amino}benzenesulfonamide
Systematic Name (OpenEye OEToolkits)	1-(4-fluorophenyl)-3-(4-sulfamoylphenyl)urea
Formula	C₁₃ H₁₂ F N₃ O₃ S
Molecular Weight	309.316
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=S(=O)(N)c2ccc(NC(=O)Nc1ccc(F)cc1)cc2
SMILES	CACTVS	3.370	N[S](=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
SMILES	OpenEye OEToolkits	1.7.0	c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F
Canonical SMILES	CACTVS	3.370	N[S](=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F
InChI	InChI	1.03	InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18)
InChIKey	InChI	1.03	YJQZNWPYLCNRLP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB18815
Name	SLC-0111
Groups	investigational
Synonyms	4-[[[(4-Fluorophenyl)amino]carbonyl]amino]benzenesulfonamide Benzenesulfonamide, 4-[[[(4-fluorophenyl)amino]carbonyl]amino]- SLC-0111
Categories	Amides Antineoplastic Agents Benzene Derivatives Sulfones Sulfur Compounds
CAS number	178606-66-1

Related Resource References

Resource Name	Reference
Pharos	CHEMBL1615281
PubChem	310360
ChEMBL	CHEMBL1615281

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.