Molecule ID: 12898

IUPAC Name: N-[dichloro(fluoro)methyl]sulfanyl-N-(dimethylsulfamoyl)-4-methylaniline

Description: The molecule is a member of the class of sulfamides that is dichlofluanid in which the hydrogen at the para position of the phenyl group is replaced by a methyl group. A fungicide first marketed in 1971 and used in the cultivation of fruit and vegetables, as well as in wood preservatives, it is no longer approved for use in the European Union. It has a role as a genotoxin and an antifungal agrochemical. It is an organofluorine compound, an organochlorine compound, a member of sulfamides and a phenylsulfamide fungicide. It derives from a sulfamide.

SMILES: Cc1ccc(N(SC(F)(Cl)Cl)S(=O)(=O)N(C)C)cc1

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

InChI: InChI=1S/C10H13Cl2FN2O2S2/c1-8-4-6-9(7-5-8)15(18-10(11,12)13)19(16,17)14(2)3/h4-7H,1-3H3

Molecular Properties:
- Polar Surface Area: 74.3 Ų
- LogP: 3.9