sodium--N~3~-(4-chlorobenzene-1-sulfonyl)-N-oxido-N~3~-[(thiophen-2-yl)methyl]-beta-alaninamide (1/1)
Chemical Structure Depiction of
sodium--N~3~-(4-chlorobenzene-1-sulfonyl)-N-oxido-N~3~-[(thiophen-2-yl)methyl]-beta-alaninamide (1/1)
sodium--N~3~-(4-chlorobenzene-1-sulfonyl)-N-oxido-N~3~-[(thiophen-2-yl)methyl]-beta-alaninamide (1/1)
Compound characteristics
| Compound ID: | K783-3415 |
| Compound Name: | sodium--N~3~-(4-chlorobenzene-1-sulfonyl)-N-oxido-N~3~-[(thiophen-2-yl)methyl]-beta-alaninamide (1/1) |
| Molecular Weight: | 396.84 |
| Molecular Formula: | C14 H14 Cl N2 O4 S2 |
| Salt: | Na+ |
| Smiles: | C(CN(Cc1cccs1)S(c1ccc(cc1)[Cl])(=O)=O)C(N[O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0322 |
| logD: | 2.0322 |
| logSw: | -2.7507 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.322 |
| InChI Key: | LLZHJMRZYVHSKW-UHFFFAOYSA-N |