2-(dimethylamino)-5-[(2,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(dimethylamino)-5-[(2,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(dimethylamino)-5-[(2,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0797 |
| Compound Name: | 2-(dimethylamino)-5-[(2,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 462.44 |
| Molecular Formula: | C17 H20 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(Nc1ccc(c(c1)C(O)=O)N(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8329 |
| logD: | 1.7173 |
| logSw: | -3.8151 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.8 |
| InChI Key: | IFODIQIBPWIZNV-UHFFFAOYSA-N |