4-{(4-carboxy-2-nitrobenzene-1-sulfonyl)[(2-chlorophenyl)methyl]sulfamoyl}-2-nitrobenzoic acid
Chemical Structure Depiction of
4-{(4-carboxy-2-nitrobenzene-1-sulfonyl)[(2-chlorophenyl)methyl]sulfamoyl}-2-nitrobenzoic acid
4-{(4-carboxy-2-nitrobenzene-1-sulfonyl)[(2-chlorophenyl)methyl]sulfamoyl}-2-nitrobenzoic acid
Compound characteristics
| Compound ID: | K784-1541 |
| Compound Name: | 4-{(4-carboxy-2-nitrobenzene-1-sulfonyl)[(2-chlorophenyl)methyl]sulfamoyl}-2-nitrobenzoic acid |
| Molecular Weight: | 599.93 |
| Molecular Formula: | C21 H14 Cl N3 O12 S2 |
| Smiles: | C(c1ccccc1[Cl])N(S(c1ccc(C(O)=O)c(c1)[N+]([O-])=O)(=O)=O)S(c1ccc(cc1[N+]([O-])=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3467 |
| logD: | -0.419 |
| logSw: | -4.2956 |
| Hydrogen bond acceptors count: | 23 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 182.384 |
| InChI Key: | SAYNHXNAGONVFP-UHFFFAOYSA-N |