N-(4-chlorobenzene-1-sulfonyl)-beta-alanine
Chemical Structure Depiction of
N-(4-chlorobenzene-1-sulfonyl)-beta-alanine
N-(4-chlorobenzene-1-sulfonyl)-beta-alanine
Compound characteristics
Compound ID: | 6189-0029 |
Compound Name: | N-(4-chlorobenzene-1-sulfonyl)-beta-alanine |
Molecular Weight: | 263.7 |
Molecular Formula: | C9 H10 Cl N O4 S |
Smiles: | C(CNS(c1ccc(cc1)[Cl])(=O)=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 1.1822 |
logD: | -1.6767 |
logSw: | -2.577 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.494 |
InChI Key: | LLOGDSQFNVFUAW-UHFFFAOYSA-N |