2-[benzyl(methyl)amino]-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(methyl)amino]-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(methyl)amino]-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0222 |
| Compound Name: | 2-[benzyl(methyl)amino]-5-[(3-chloro-2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.96 |
| Molecular Formula: | C22 H21 Cl N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1c(cccc1[Cl])S(Nc1ccc(c(c1)C(O)=O)N(C)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.244 |
| logD: | 3.4119 |
| logSw: | -5.1384 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.95 |
| InChI Key: | IUKLNRYHVMSXJG-UHFFFAOYSA-N |