2-[benzyl(methyl)amino]-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[benzyl(methyl)amino]-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid
2-[benzyl(methyl)amino]-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F294-0212 |
| Compound Name: | 2-[benzyl(methyl)amino]-5-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 524.51 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1S(Nc1ccc(c(c1)C(O)=O)N(C)Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5535 |
| logD: | 2.7214 |
| logSw: | -4.2438 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.95 |
| InChI Key: | DKBQIOFDDGEVBU-UHFFFAOYSA-N |