N~3~-(5-bromothiophene-2-sulfonyl)-N-(4-chlorophenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(5-bromothiophene-2-sulfonyl)-N-(4-chlorophenyl)-beta-alaninamide
N~3~-(5-bromothiophene-2-sulfonyl)-N-(4-chlorophenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C224-3158 |
| Compound Name: | N~3~-(5-bromothiophene-2-sulfonyl)-N-(4-chlorophenyl)-beta-alaninamide |
| Molecular Weight: | 423.73 |
| Molecular Formula: | C13 H12 Br Cl N2 O3 S2 |
| Smiles: | C(CNS(c1ccc(s1)[Br])(=O)=O)C(Nc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5874 |
| logD: | 3.5865 |
| logSw: | -3.7709 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.006 |
| InChI Key: | LIJASCFNOKMJJO-UHFFFAOYSA-N |