About 2-(4-methoxyphenoxy)pyridine-3-sulfonamide
2-(4-methoxyphenoxy)pyridine-3-sulfonamide (PubChem CID 112572912) has the molecular formula C12H12N2O4S
and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)pyridine-3-sulfonamide.
Molecular Properties
| Compound Name | 2-(4-methoxyphenoxy)pyridine-3-sulfonamide |
| PubChem CID | 112572912 |
| Molecular Formula | C12H12N2O4S |
| Molecular Weight | 280.31 g/mol |
| Exact Mass | 280.05 |
| IUPAC Name | 2-(4-methoxyphenoxy)pyridine-3-sulfonamide |
| SMILES | COc1ccc(Oc2ncccc2S(N)(=O)=O)cc1 |
| InChI | InChI=1S/C12H12N2O4S/c1-17-9-4-6-10(7-5-9)18-12-11(19(13,15)16)3-2-8-14-12/h2-8H,1H3,(H2,13,15,16) |
| InChIKey | WHUNEFNDBBSQGT-UHFFFAOYSA-N |
| XLogP | 1.53 |
| TPSA | 91.51 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 280.31 |
| LogP ≤ 5 | 1.53 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 2-(4-methoxyphenoxy)pyridine-3-sulfonamide?
The IUPAC name of 2-(4-methoxyphenoxy)pyridine-3-sulfonamide (CID 112572912) is 2-(4-methoxyphenoxy)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)pyridine-3-sulfonamide?
The canonical SMILES for 2-(4-methoxyphenoxy)pyridine-3-sulfonamide is COc1ccc(Oc2ncccc2S(N)(=O)=O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)pyridine-3-sulfonamide?
The InChIKey is WHUNEFNDBBSQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S/c1-17-9-4-6-10(7-5-9)18-12-11(19(13,15)16)3-2-8-14-12/h2-8H,1H3,(H2,13,15,16).
What are the key properties of 2-(4-methoxyphenoxy)pyridine-3-sulfonamide?
2-(4-methoxyphenoxy)pyridine-3-sulfonamide has a molecular weight of 280.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 112572912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).