O9M

2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide

Created:	2019-06-19
Last modified:	2020-04-01

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1 entries where O9M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	18

2D diagram of O9M

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Chemical Component Summary
Name	2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide
Systematic Name (OpenEye OEToolkits)	2-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-pyrimidin-2-yl-benzohydrazide
Formula	C₁₈ H₁₅ F N₄ O₃ S
Molecular Weight	386.4
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)n3
SMILES	CACTVS	3.385	Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ncccn3
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3
Canonical SMILES	CACTVS	3.385	Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ncccn3
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3
InChI	InChI	1.03	InChI=1S/C18H15FN4O3S/c1-12-10-13(17-20-8-5-9-21-17)11-15(16(12)19)18(24)22-23-27(25,26)14-6-3-2-4-7-14/h2-11,23H,1H3,(H,22,24)
InChIKey	InChI	1.03	ZEILGPBOAJFIRQ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135298767

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.