2-[(4-bromobenzene-1-sulfonyl)amino]-5-[butyl(methyl)amino]benzoic acid
Chemical Structure Depiction of
2-[(4-bromobenzene-1-sulfonyl)amino]-5-[butyl(methyl)amino]benzoic acid
2-[(4-bromobenzene-1-sulfonyl)amino]-5-[butyl(methyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F686-0015 |
| Compound Name: | 2-[(4-bromobenzene-1-sulfonyl)amino]-5-[butyl(methyl)amino]benzoic acid |
| Molecular Weight: | 441.34 |
| Molecular Formula: | C18 H21 Br N2 O4 S |
| Smiles: | CCCCN(C)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1)[Br])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4013 |
| logD: | 0.5164 |
| logSw: | -3.9367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.803 |
| InChI Key: | BHXQZITWVTYKKT-UHFFFAOYSA-N |