sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(4-chlorophenyl)methyl]-N-oxido-beta-alaninamide (1/1)
Chemical Structure Depiction of
sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(4-chlorophenyl)methyl]-N-oxido-beta-alaninamide (1/1)
sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(4-chlorophenyl)methyl]-N-oxido-beta-alaninamide (1/1)
Compound characteristics
| Compound ID: | K783-3402 |
| Compound Name: | sodium--N~3~-(4-bromobenzene-1-sulfonyl)-N~3~-[(4-chlorophenyl)methyl]-N-oxido-beta-alaninamide (1/1) |
| Molecular Weight: | 469.71 |
| Molecular Formula: | C16 H15 Br Cl N2 O4 S |
| Salt: | Na+ |
| Smiles: | C(CN(Cc1ccc(cc1)[Cl])S(c1ccc(cc1)[Br])(=O)=O)C(N[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0778 |
| logD: | 3.0778 |
| logSw: | -3.5105 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.304 |
| InChI Key: | RDSQXJZCNIJEGL-UHFFFAOYSA-N |