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

• ChemBase ID: 98353
• Molecular Formular: C12H9F2N5O2S
• Molecular Mass: 325.2939664
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
• IUPAC Traditional name: N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
• Synonyms: 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

Database IDs

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

CALCULATED PROPERTIES

• Acid pKa: 8.803116
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.7955866
• LogD (pH = 7.4): 1.7808957
• Log P: 1.7957779
• Molar Refractivity: 85.4074 cm^3
• Polarizability: 27.805367 Å^3
• Polar Surface Area: 89.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

DETAILS

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

REFERENCES

• 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)