4-METHYL-N-(4-(TRIFLUOROMETHYL)PHENYL)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 PPXMHTWGFXWJNR-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)C(F)(F)F
InChI
InChI=1S/C14H12F3NO2S/c1-10-2-8-13(9-3-10)21(19,20)18-12-6-4-11(5-7-12)14(15,16)17/h2-9,18H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H12F3NO2S
Molecular Weight 315.31
AlogP 3.75
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 54.55
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0
Assay Description Organism Bioactivity Reference
Antifungal activity against Plasmodiophora brassicae in cabbage seedlings transplanted after soil infestation with fungus followed by compound application to soil assessed as cabbage club root disease control efficacy at 500 ug/ml measured after 35 days post fungal inoculation Plasmodiophora brassicae 75.0 %
Antifungal activity against Plasmodiophora brassicae in cabbage seedlings transplanted after soil infestation with fungus followed by compound application to soil assessed as cabbage club root disease control efficacy at 167 ug/ml measured after 35 days post fungal inoculation Plasmodiophora brassicae 33.0 %
Antifungal activity against Plasmodiophora brassicae in cabbage seedlings transplanted after soil infestation with fungus followed by compound application to soil assessed as cabbage club root disease control efficacy at 56 ug/ml measured after 35 days post fungal inoculation Plasmodiophora brassicae 25.0 %
Antifungal activity against Plasmodiophora brassicae in cabbage seedlings transplanted after soil infestation with fungus followed by compound application to soil assessed as cabbage club root disease control efficacy at 19 ug/ml measured after 35 days post fungal inoculation Plasmodiophora brassicae 17.0 %
Antifungal activity against Blumeria graminis f. sp. hordei infected compound pre-treated barley seedlings at first-leaf stage assessed as barley powdery mildew disease control values at 50 ug/ml measured after 7 days post fungal inoculation Blumeria graminis f. sp. hordei 0.0 %
Antifungal activity against Puccinia recondita infected on compound pre-treated wheat seedlings at first-leaf stage assessed as wheat leaf rust disease control values at 50 ug/ml measured after 7 days post fungal inoculation Puccinia recondita 87.0 %
Antifungal activity against Phytophthora capsici infected on compound pre-treated tomato seedlings at second-leaf stage assessed as tomato late blight disease control values at 50 ug/ml measured after 3 to 4 days post fungal inoculation Phytophthora capsici 44.0 %
Antifungal activity against Botryotinia fuckeliana infected compound pre-treated tomato seedlings at second-leaf stage assessed as tomato gray mould disease control values at 50 ug/ml measured after 3 to 4 days post fungal inoculation Botryotinia fuckeliana 2.0 %
Antifungal activity against Corticium sasaki Matsu infected compound pre-treated rice seedlings at third-leaf stage assessed as rice sheath blight disease control values at 50 ug/ml measured after 4 days post fungal inoculation Corticium 0.0 %
Antifungal activity against Magnaporthe grisea infected on compound pre-treated rice seedlings at second-leaf stage assessed as rice blast disease control values at 50 ug/ml measured after 5 days post fungal inoculation Magnaporthe grisea 0.0 %
Antifungal activity against Botryotinia fuckeliana assessed as mycelial growth inhibition after 2 to 6 days Botryotinia fuckeliana 13.6 ppm
Antifungal activity against Rhizoctonia solani assessed as mycelial growth inhibition after 2 to 6 days Rhizoctonia solani 15.4 ppm
Antifungal activity against Phytophthora capsici assessed as mycelial growth inhibition after 2 to 6 days Phytophthora capsici 12.2 ppm
Antifungal activity against Pythium ultimum assessed as mycelial growth inhibition after 2 to 6 days Pythium ultimum 4.3 ppm
Fungicidal activity against clubroot disease causing Plasmodiophora brassicae infested Brassica campestris under greenhouse condition assessed as disease incidence at 4 kg a.i/ha treated to soil measured after 40 to 50 days Plasmodiophora brassicae 26.0 %
Fungicidal activity against clubroot disease causing Plasmodiophora brassicae infested Brassica campestris under greenhouse condition assessed as disease incidence at 2 kg a.i/ha treated to soil measured after 40 to 50 days Plasmodiophora brassicae 26.0 %
Fungicidal activity against clubroot disease causing Plasmodiophora brassicae infested Brassica campestris under greenhouse condition assessed as disease incidence at 0.5 kg a.i/ha treated to soil measured after 40 to 50 days Plasmodiophora brassicae 0.0 %

Cross References

Resources Reference
ChEMBL CHEMBL2272653
PubChem 184835
ZINC ZINC00563054
CONTENTS