N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

• ChemBase编号: 98353
• 分子式: C12H9F2N5O2S
• 平均质量: 325.2939664
• 单一同位素质量: 325.04450199
• SMILES: S(=O)(=O)(c1nn2c(n1)nc(cc2)C)Nc1c(cccc1F)F
• Canonical SMILES: Cc1ccn2c(n1)nc(n2)S(=O)(=O)Nc1c(F)cccc1F
• InChI: InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3
• InChIKey: RXCPQSJAVKGONC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
• IUPAC传统名: N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
• 别名: N-(2,6-Difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide; Broadstrike; DE 498; Python; Scorpion; XRD 498; Flumetsulam; Flumetsulam; N-(2,6-Difluorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulphonamide

登记号

• CAS号: 98967-40-9
• PubChem SID: 162084791
• PubChem CID: 91759

理论计算性质

• Acid pKa: 8.803116
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): 1.7955866
• LogD (pH = 7.4): 1.7808957
• Log P: 1.7957779
• 摩尔折射率: 85.4074 cm^3
• 极化性: 27.805367 Å^3
• 极化表面积: 89.25 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: Irritant

详细说明

Toronto Research Chemicals - F455100

Flumetsulam is a ighly active herbicide of the triazolopyrimidine sulfonanilide class. Flumetsulam act by inhibiting acetolactate synthase. Flumetsulam exhibits broad spectrum activity on broadleaf weed species with selectivity to several major agronomic

参考文献

• Kleschick, W.A. et al.: J. Agric. Food Chem., 40, 1083 (1992)
• Frear, D.S. et al.: Pest. Biochem. Physiol., 45, 178 (1992)
• Webster, E.P. et al.: Weed Sci., 49, 652 (1992)