O9G

2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide

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

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Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count43
Aromatic Bond Count17
2D diagram of O9G

Chemical Component Summary

Name2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide
Systematic Name (OpenEye OEToolkits)2-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-pyrazol-1-yl-benzohydrazide
FormulaC17 H15 F N4 O3 S
Molecular Weight374.389
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01c3n(c1cc(c(c(C)c1)F)C(=O)NNS(c2ccccc2)(=O)=O)ncc3
SMILESCACTVS3.385Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)n3cccn3
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3cccn3
Canonical SMILESCACTVS3.385 Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)n3cccn3
Canonical SMILESOpenEye OEToolkits2.0.7 Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)n3cccn3
InChIInChI1.03 InChI=1S/C17H15FN4O3S/c1-12-10-13(22-9-5-8-19-22)11-15(16(12)18)17(23)20-21-26(24,25)14-6-3-2-4-7-14/h2-11,21H,1H3,(H,20,23)
InChIKeyInChI1.03 HKELVRVKFVSBKX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 135298636