C9H9BrN4O4S — CID 61128864
5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide (PubChem CID 61128864) has the molecular formula C9H9BrN4O4S and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide.
| Compound Name | 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide |
|---|---|
| PubChem CID | 61128864 |
| Molecular Formula | C9H9BrN4O4S |
| Molecular Weight | 349.17 g/mol |
| Exact Mass | 347.95 |
| IUPAC Name | 5-bromo-N-(1-methyl-4-sulfamoylpyrazol-3-yl)furan-2-carboxamide |
| SMILES | Cn1cc(S(N)(=O)=O)c(NC(=O)c2ccc(Br)o2)n1 |
| InChI | InChI=1S/C9H9BrN4O4S/c1-14-4-6(19(11,16)17)8(13-14)12-9(15)5-2-3-7(10)18-5/h2-4H,1H3,(H2,11,16,17)(H,12,13,15) |
| InChIKey | HSCFHRJYSTTWLF-UHFFFAOYSA-N |
| XLogP | 0.68 |
| TPSA | 120.22 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 349.17 |
| LogP ≤ 5 | 0.68 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |