5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0745 |
| Compound Name: | 5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]-2-(diethylamino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 510.92 |
| Molecular Formula: | C18 H21 Cl N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)c1ccc(cc1C(O)=O)NS(c1cccc(c1C)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2743 |
| logD: | 2.1587 |
| logSw: | -4.2385 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.731 |
| InChI Key: | MDFUMKPOKSIPHF-UHFFFAOYSA-N |