Molecule ID: 9862076

IUPAC Name: 4-chloro-2-cyano-N,N-dimethyl-5-(4-methylphenyl)imidazole-1-sulfonamide

Description: The molecule is a member of the class of imidazoles carrying dimethylsulfamyl, cyano, chloro and 4-tolyl substituents at positions 1, 2, 4 and 5 respectively. A fungicide used mainly for controlling Oomycete and Plasmodiophora diseases on potatoes and tomatoes. It is a skin and eye irritant and is moderately toxic to birds, most aquatic organisms, honeybees and earthworms. It has a role as a mitochondrial cytochrome-bc1 complex inhibitor and an antifungal agrochemical. It is a member of imidazoles, an organochlorine compound, a nitrile, a member of sulfamides, a sulfonamide fungicide and an imidazole fungicide.

SMILES: Cc1ccc(-c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1

SELFIES: [C][C][=C][C][=C][Branch2][Ring1][O][C][=C][Branch1][C][Cl][N][=C][Branch1][Ring1][C][#N][N][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C13H13ClN4O2S/c1-9-4-6-10(7-5-9)12-13(14)16-11(8-15)18(12)21(19,20)17(2)3/h4-7H,1-3H3

Molecular Properties:
- Polar Surface Area: 87.4 Ų
- LogP: 2.6