5-[(3,4-dichlorobenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3,4-dichlorobenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
5-[(3,4-dichlorobenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0746 |
| Compound Name: | 5-[(3,4-dichlorobenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 531.33 |
| Molecular Formula: | C17 H18 Cl2 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)c1ccc(cc1C(O)=O)NS(c1ccc(c(c1)[Cl])[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5647 |
| logD: | 2.449 |
| logSw: | -4.359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.731 |
| InChI Key: | PTXUMCPRMOHBJT-UHFFFAOYSA-N |