sodium--N~3~-[(2,6-dichlorophenyl)methyl]-N~3~-(4-fluoro-3-methylbenzene-1-sulfonyl)-N-oxido-beta-alaninamide (1/1)
Chemical Structure Depiction of
sodium--N~3~-[(2,6-dichlorophenyl)methyl]-N~3~-(4-fluoro-3-methylbenzene-1-sulfonyl)-N-oxido-beta-alaninamide (1/1)
sodium--N~3~-[(2,6-dichlorophenyl)methyl]-N~3~-(4-fluoro-3-methylbenzene-1-sulfonyl)-N-oxido-beta-alaninamide (1/1)
Compound characteristics
| Compound ID: | K783-1924 |
| Compound Name: | sodium--N~3~-[(2,6-dichlorophenyl)methyl]-N~3~-(4-fluoro-3-methylbenzene-1-sulfonyl)-N-oxido-beta-alaninamide (1/1) |
| Molecular Weight: | 457.28 |
| Molecular Formula: | C17 H16 Cl2 F N2 O4 S |
| Salt: | Na+ |
| Smiles: | Cc1cc(ccc1F)S(N(CCC(N[O-])=O)Cc1c(cccc1[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3333 |
| logD: | 3.3333 |
| logSw: | -3.4148 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.304 |
| InChI Key: | RUHBDUORKMONBK-UHFFFAOYSA-N |