FYZIKEKHLDPREF-UHFFFAOYSA-N
C10H13N3O4S — CID 15240549
Data last refreshed: (MolForge compound catalog, from PubChem)
About FYZIKEKHLDPREF-UHFFFAOYSA-N
FYZIKEKHLDPREF-UHFFFAOYSA-N (PubChem CID 15240549) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-formamido-N,N-dimethyl-2-sulfamoylbenzamide.
Molecular Properties
| Compound Name | FYZIKEKHLDPREF-UHFFFAOYSA-N |
|---|---|
| PubChem CID | 15240549 |
| Molecular Formula | C10H13N3O4S |
| Molecular Weight | 271.30 g/mol |
| Exact Mass | 271.06 |
| IUPAC Name | 4-formamido-N,N-dimethyl-2-sulfamoylbenzamide |
| SMILES | CN(C)C(=O)c1ccc(NC=O)cc1S(N)(=O)=O |
| InChI | InChI=1S/C10H13N3O4S/c1-13(2)10(15)8-4-3-7(12-6-14)5-9(8)18(11,16)17/h3-6H,1-2H3,(H,12,14)(H2,11,16,17) |
| InChIKey | FYZIKEKHLDPREF-UHFFFAOYSA-N |
| XLogP | -0.40 |
| TPSA | 109.57 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|---|
| MW ≤ 500 | 271.30 |
| LogP ≤ 5 | -0.40 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
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Sources
- PubChem CID 15240549 — identifiers, structure, computed properties (public domain)
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