Nicosulfuron

Synonyms: Nicosulfuron, "Milagro", "Motivell", "2-(N-((4,6-Dimethoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-N,N-dimethylnicotinamide", "2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethyl-pyridine-3-carboxamide", "2-[(4,6-Dimethoxypyrimidin-2-ylcarbamoyl)sulfamoyl]-N,N-dimethylnicotinamide".

Source: Nicosulfuron is a widely utilized postemergence herbicide.

Identifiers:

IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CAS Number: 111991-09-4
PubChem ID: 73281
InChiKey: RTCOGUMHFFWOJV-UHFFFAOYSA-N
Canonical SMILES: CN(C)C(=O)C1=C(N=CC=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC

Structural Properties:

Molecular Formula: C₁₅H₁₈N₆O₆S
Molecular Weight: 410.4

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 9
Number of atoms different from hydrogen: 28

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
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Evidence Supporting This Chemical as an Emerging Contaminant

Osorio, V., Schriks, M., Vughs, D., de Voogt, P., Kolkman, A. (2018). A novel sample preparation procedure for effect-directed analysis of micro-contaminants of emerging concern in surface waters. Talanta 186, 527?537.

External Links

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2D-structure

3D-structure