C19H21ClN2O6S — CID 18892295
N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 18892295) has the molecular formula C19H21ClN2O6S and a molecular weight of 440.91 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
| Compound Name | N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide |
|---|---|
| PubChem CID | 18892295 |
| Molecular Formula | C19H21ClN2O6S |
| Molecular Weight | 440.91 g/mol |
| Exact Mass | 440.08 |
| IUPAC Name | N-(3-chloro-4-methoxyphenyl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide |
| SMILES | COc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1Cl |
| InChI | InChI=1S/C19H21ClN2O6S/c1-26-16-6-4-14(12-15(16)20)21-19(23)13-3-5-17(27-2)18(11-13)29(24,25)22-7-9-28-10-8-22/h3-6,11-12H,7-10H2,1-2H3,(H,21,23) |
| InChIKey | PLAUVHMIWXVWID-UHFFFAOYSA-N |
| XLogP | 2.63 |
| TPSA | 94.17 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 29 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 440.91 |
| LogP ≤ 5 | 2.63 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |