3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
Chemical Structure Depiction of
3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
Compound characteristics
| Compound ID: | C105-0580 |
| Compound Name: | 3-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-chloro-4-methylphenyl)propanamide |
| Molecular Weight: | 379.82 |
| Molecular Formula: | C16 H14 Cl N3 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CCS(c1cccc2c1non2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8753 |
| logD: | 3.8735 |
| logSw: | -4.2054 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.242 |
| InChI Key: | ALOCXTDDRFWKSD-UHFFFAOYSA-N |