5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1)
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0823 |
| Compound Name: | 5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 482.86 |
| Molecular Formula: | C16 H17 Cl N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1c(cccc1[Cl])S(Nc1ccc(c(c1)C(O)=O)N(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9208 |
| logD: | 1.8052 |
| logSw: | -4.0626 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.8 |
| InChI Key: | XMDKIQWDBBTZIB-UHFFFAOYSA-N |