1.02010-04-08 22:10:42 UTC2015-07-20 22:59:00 UTCFDB013416MetosulamSelective post-emergence herbicide used on cereals against broad-leaved weedsDE 511MetosulamMetosulam [iso]N-(2,6-Dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide, 9CIXDE 511XRD 511C14H13Cl2N5O4S418.255417.006530033N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamidemetosulam139528-85-1COC1=NC2=NC(=NN2C(OC)=C1)S(=O)(=O)NC1=C(Cl)C=CC(C)=C1ClInChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3VGHPMIFEKOFHHQ-UHFFFAOYSA-N belongs to the class of organic compounds known as 1,2,4-triazolopyrimidine-2-sulfonanilides. These are polycyclic aromatic compounds containing a 1,2,4-triazolo[1,5-a]pyrimidine ring system, which is substituted with a sulfonanilide at the 2-position.1,2,4-triazolopyrimidine-2-sulfonanilidesOrganic compoundsOrganoheterocyclic compoundsTriazolopyrimidines1,2,4-triazolopyrimidine-2-sulfonamidesAromatic heteropolycyclic compoundsAlkyl aryl ethersAminosulfonyl compoundsAryl chloridesAzacyclic compoundsDichlorobenzenesHeteroaromatic compoundsHydrocarbon derivativesOrganic oxidesOrganochloridesOrganonitrogen compoundsOrganopnictogen compoundsOrganosulfonamidesPyrimidines and pyrimidine derivativesSulfanilidesToluenesTriazoles1,2,4-triazole1,2,4-triazolopyrimidine-2-sulfonanilide1,3-dichlorobenzeneAlkyl aryl etherAminosulfonyl compoundAromatic heteropolycyclic compoundAryl chlorideAryl halideAzacycleAzoleBenzenoidChlorobenzeneEtherHalobenzeneHeteroaromatic compoundHydrocarbon derivativeMonocyclic benzene moietyOrganic nitrogen compoundOrganic oxideOrganic oxygen compoundOrganic sulfonic acid or derivativesOrganochlorideOrganohalogen compoundOrganonitrogen compoundOrganooxygen compoundOrganopnictogen compoundOrganosulfonic acid amideOrganosulfonic acid or derivativesOrganosulfur compoundPyrimidineSulfanilideSulfonylTolueneTriazoleAnilide herbicidessulfonamidelogp3.76logs-4.32solubility2.00e-02 g/lmelting_pointMp 224-226° (210-211.5°)logp3.47pka_strongest_acidic8.79pka_strongest_basic-3.5iupacN-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamideaverage_mass418.255mono_mass417.006530033smilesCOC1=NC2=NC(=NN2C(OC)=C1)S(=O)(=O)NC1=C(Cl)C=CC(C)=C1ClformulaC14H13Cl2N5O4SinchiInChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3inchikeyVGHPMIFEKOFHHQ-UHFFFAOYSA-Npolar_surface_area107.71refractivity107.53polarizability39.17rotatable_bond_count4acceptor_count7donor_count1physiological_charge0formal_charge0Specdb::CMs24367Specdb::CMs137201Specdb::CMs144935Specdb::MsMs75168Specdb::MsMs75169Specdb::MsMs75170Specdb::MsMs134754Specdb::MsMs134755Specdb::MsMs134756Specdb::MsMs436430Specdb::MsMs436431Specdb::MsMs436432Specdb::MsMs436433Specdb::MsMs436434Specdb::MsMs436435Specdb::MsMs443875Specdb::MsMs443876Specdb::MsMs443877Specdb::MsMs443878Specdb::MsMs443879Specdb::MsMs443880Specdb::MsMs2226956Specdb::MsMs2234099Specdb::MsMs2234854Specdb::MsMs2252871Specdb::MsMs2253620Specdb::MsMs2254947Specdb::MsMs2255604HMDB34850#<Reference:0x0000555675cff7f8>