3,5-DICHLORO-N-(5,8-DIMETHOXY-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 QWLGUYQKOPOXAT-UHFFFAOYSA-N
Smiles COc1cnc(OC)n2nc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)nc12
InChI
InChI=1S/C13H11Cl2N5O4S/c1-23-10-6-16-13(24-2)20-11(10)17-12(18-20)19-25(21,22)9-4-7(14)3-8(15)5-9/h3-6H,1-2H3,(H,18,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11Cl2N5O4S
Molecular Weight 404.23
AlogP 2.82
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 116.09
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0
Assay Description Organism Bioactivity Reference
Post-emergence herbicidal activity against Avena fatua compound treated as foliar application measured after 2 weeks Avena fatua 1000.0 ppm
Phytotoxicity against Oryza sativa (rice) Oryza sativa 62.0 ppm
Post-emergence herbicidal activity against Digitaria sanguinalis (hairy crabgrass) compound treated as foliar application measured after 2 weeks Digitaria sanguinalis 1000.0 ppm
Post-emergence herbicidal activity against Sorghum halepense (Johnson grass) compound treated as foliar application measured after 2 weeks Sorghum halepense 1000.0 ppm
Post-emergence herbicidal activity against Setaria faberi (Giant Foxtail) compound treated as foliar application measured after 2 weeks Setaria faberi 1000.0 ppm
Post-emergence herbicidal activity against Echinochloa crus-galli (barnyard grass) compound treated as foliar application measured after 2 weeks Echinochloa crus-galli 1000.0 ppm
Post-emergence herbicidal activity against Alopecurus spp. compound treated as foliar application measured after 2 weeks Alopecurus 1000.0 ppm
Post-emergence herbicidal activity against Fallopia convolvulus compound treated as foliar application measured after 2 weeks Fallopia convolvulus 126.0 ppm
Post-emergence herbicidal activity against Stellaria media compound treated as foliar application measured after 2 weeks Stellaria media 126.0 ppm
Post-emergence herbicidal activity against Ipomoea hederacea (ivy-leaved morning glory) compound treated as foliar application measured after 2 weeks Ipomoea hederacea 126.0 ppm
Post-emergence herbicidal activity against Veronica hederifolia compound treated as foliar application measured after 2 weeks Veronica hederifolia 126.0 ppm
Post-emergence herbicidal activity against Abutilon theophrasti (velvetleaf) compound treated as foliar application measured after 2 weeks Abutilon theophrasti 126.0 ppm
Post-emergence herbicidal activity against Amaranthus retroflexus compound treated as foliar application measured after 2 weeks Amaranthus retroflexus 126.0 ppm
Post-emergence herbicidal activity against Ipomoea spp. compound treated as foliar application measured after 2 weeks Ipomoea 126.0 ppm
Post-emergence herbicidal activity against Helianthus spp. compound treated as foliar application measured after 2 weeks Helianthus 126.0 ppm
Post-emergence herbicidal activity against Chenopodium album compound treated as foliar application measured after 2 weeks Chenopodium album 126.0 ppm
Post-emergence herbicidal activity against Datura stramonium compound treated as foliar application measured after 2 weeks Datura stramonium 126.0 ppm
Post-emergence herbicidal activity against Xanthium strumarium (cocklebur) compound treated as foliar application measured after 2 weeks Xanthium strumarium 126.0 ppm

Cross References

Resources Reference
ChEMBL CHEMBL2289760
PubChem 76334778
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