Flumetsulam - analytical standard, ≥98% , CAS No.98967-40-9

CAS: 98967-40-9 Cat. No.: A114954 Molecular Weight: 325.3 EC Number: 619-383-6

GRADE & PURITY Analytical standard, ≥98%

Synonyms

MJ9SN78NYT | Q26840836 | BROADSTRIKE (DOW AGROSCI.) | C18852 | NCGC00163836-01 | NSC 23474 | PYTHON (DOW AGROSCI.) | A845938 | Flumetsulam | NCGC00254732-01 | XRD 498 | MLS000704301 | X89F0S6LW8 | CBDivE_003907 | N-(2,6-difluorophenyl)-5-methyl-[1,2,4]tri

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

MJ9SN78NYT | Q26840836 | BROADSTRIKE (DOW AGROSCI.) | C18852 | NCGC00163836-01 | NSC 23474 | PYTHON (DOW AGROSCI.) | A845938 | Flumetsulam | NCGC00254732-01 | XRD 498 | MLS000704301 | X89F0S6LW8 | CBDivE_003907 | N-(2, 6-difluorophenyl)-5-methyl-[1, 2, 4]tri

Specifications & Purity

analytical standard, ≥98%

Storage

Room temperature

Shipped In

Normal

Grade

Analytical standard

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504756090
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756090
• Canonical Smiles: CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC3=C(C=CC=C3F)F
• IUPAC Name: N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
• InChIKey: RXCPQSJAVKGONC-UHFFFAOYSA-N
• 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
• Isomeric SMILES: CC1=NC2=NC(=NN2C=C1)S(=O)(=O)NC3=C(C=CC=C3F)F
• Molecular Weight: 325.3
• Reaxy-Rn: 8155688
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8155688&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazolopyrimidines
      • Subclass 1,2,4-triazolopyrimidine-2-sulfonamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazolopyrimidines
• Subclass: 1,2,4-triazolopyrimidine-2-sulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-triazolopyrimidine-2-sulfonanilides
• Alternative Parents: Sulfanilides Fluorobenzenes Pyrimidines and pyrimidine derivatives Organosulfonamides Aryl fluorides Triazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,2,4-triazolopyrimidine-2-sulfonanilide - Sulfanilide - Halobenzene - Fluorobenzene - Pyrimidine - Aryl fluoride - Organosulfonic acid amide - Benzenoid - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazole - Triazole - Aminosulfonyl compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Azole - Sulfonyl - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Description: This compound 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.
• External Descriptors: Anilide herbicides

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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HEK293 (82097 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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RUNX1 Tbio Runt-related transcription factor 1/Core-binding factor subunit beta (7867 Activities)

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Associated Targets(non-human)

ALS Acetolactate synthase (354 Activities)

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Echinochloa crus-galli (3685 Activities)

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Rumex acetosa (57 Activities)

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Amaranthus retroflexus (1838 Activities)

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Brassica juncea (453 Activities)

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Chenopodium album (769 Activities)

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Digitaria sanguinalis (1594 Activities)

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clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

Discover Target: clpP

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Cerastium arvense (26 Activities)

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Polygonum humifusum (44 Activities)

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Raphanus raphanistrum (44 Activities)

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Poa annua (183 Activities)

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Eclipta prostrata (267 Activities)

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Cyperus iria (145 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 251-253°C
• Molecular Weight: 325.300 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 325.045 Da
• Monoisotopic Mass: 325.045 Da
• Topological Polar Surface Area: 97.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 492.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Mingming Han, Hongmei Lu, Zhimin Zhang.  (2020)  Fast and Low-Cost Surface-Enhanced Raman Scattering (SERS) Method for On-Site Detection of Flumetsulam in Wheat.  MOLECULES,  25  (20): (4662).  [PMID:33066139] [10.3390/molecules25204662]

2. Yi Liu, Jiafei Xie, Yimiao Lin, Ruojia Li, Liang Zhu, Ying Zhou.  (2025)  Influence of sulfur/chlorine-containing pesticides on the aging and heavy metal dynamics of PBAT and LDPE microplastics in soil.  Environmental Science-Processes & Impacts,      [PMID:40888324] [10.1039/D5EM00360A]

3. Jianji Zhao, Xiangyu Zhang, Xiaoqiang Wang, Deyi Ou, Kecheng Huang, Chenglan Liu.  (2025)  Synergistic adsorption and degradation of flumetsulam residue by agricultural waste-derived biochar: Performance and mechanism.  Journal of the Taiwan Institute of Chemical Engineers,      [PMID:] [10.1016/j.jtice.2025.106581]