2,6-DICHLORO-N-(8-FLUORO-5-METHOXY-1,2,4-TRIAZOLO[1,5-C]PYRIMIDIN-2-YL)BENZENESULFONAMIDE

/static/temp/default.svg Search structure
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key HESLQFPDPPOTQS-UHFFFAOYSA-N
Smiles COc1ncc(F)c2nc(NS(=O)(=O)c3c(Cl)cccc3Cl)nn12
InChI
InChI=1S/C12H8Cl2FN5O3S/c1-23-12-16-5-8(15)10-17-11(18-20(10)12)19-24(21,22)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8Cl2FN5O3S
Molecular Weight 392.19
AlogP 3.05
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 106.86
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 24.0
Assay Description Organism Bioactivity Reference
Inhibition of acetolactatae synthase None 12.0 nM
Post-emergence herbicidal activity against Avena fatua compound treated as foliar application measured after 2 weeks Avena fatua 125.0 ppm
Phytotoxicity against Oryza sativa (rice) Oryza sativa 125.0 ppm
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) compound treated as foliar application measured after 2 weeks Digitaria sanguinalis 125.0 ppm
Post-emergence herbicidal activity against Sorghum halepense (Johnson grass) compound treated as foliar application measured after 2 weeks Sorghum halepense 125.0 ppm
Post-emergence herbicidal activity against Setaria faberi (Giant Foxtail) compound treated as foliar application measured after 2 weeks Setaria faberi 125.0 ppm
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) compound treated as foliar application measured after 2 weeks Echinochloa crus-galli 125.0 ppm
Post-emergence herbicidal activity against Alopecurus spp. compound treated as foliar application measured after 2 weeks Alopecurus 125.0 ppm
Post-emergence herbicidal activity against Fallopia convolvulus compound treated as foliar application measured after 2 weeks Fallopia convolvulus 19.0 ppm
Post-emergence herbicidal activity against Stellaria media compound treated as foliar application measured after 2 weeks Stellaria media 19.0 ppm
Post-emergence herbicidal activity against Ipomoea hederacea (ivy-leaved morning glory) compound treated as foliar application measured after 2 weeks Ipomoea hederacea 19.0 ppm
Post-emergence herbicidal activity against Veronica hederifolia compound treated as foliar application measured after 2 weeks Veronica hederifolia 19.0 ppm
Post-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) compound treated as foliar application measured after 2 weeks Abutilon theophrasti 19.0 ppm
Post-emergence herbicidal activity against Amaranthus retroflexus compound treated as foliar application measured after 2 weeks Amaranthus retroflexus 19.0 ppm
Post-emergence herbicidal activity against Ipomoea spp. compound treated as foliar application measured after 2 weeks Ipomoea 19.0 ppm
Post-emergence herbicidal activity against Helianthus spp. compound treated as foliar application measured after 2 weeks Helianthus 19.0 ppm
Post-emergence herbicidal activity against Chenopodium album compound treated as foliar application measured after 2 weeks Chenopodium album 19.0 ppm
Post-emergence herbicidal activity against Datura stramonium compound treated as foliar application measured after 2 weeks Datura stramonium 19.0 ppm
Post-emergence herbicidal activity against Xanthium strumarium (cocklebur) compound treated as foliar application measured after 2 weeks Xanthium strumarium 19.0 ppm

Cross References

Resources Reference
ChEMBL CHEMBL2289752
PubChem 15477107
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