About N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103299113) has the molecular formula C11H7BrF2N2O2S
and a molecular weight of 349.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide.
Molecular Properties
| Compound Name | N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide |
| PubChem CID | 103299113 |
| Molecular Formula | C11H7BrF2N2O2S |
| Molecular Weight | 349.16 g/mol |
| Exact Mass | 347.94 |
| IUPAC Name | N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide |
| SMILES | O=S(=O)(Nc1ccc(Br)cc1F)c1ncccc1F |
| InChI | InChI=1S/C11H7BrF2N2O2S/c12-7-3-4-10(9(14)6-7)16-19(17,18)11-8(13)2-1-5-15-11/h1-6,16H |
| InChIKey | HHMKDKXJTDPRGH-UHFFFAOYSA-N |
| XLogP | 2.92 |
| TPSA | 59.06 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 349.16 |
| LogP ≤ 5 | 2.92 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide (CID 103299113) is N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide is O=S(=O)(Nc1ccc(Br)cc1F)c1ncccc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is HHMKDKXJTDPRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF2N2O2S/c12-7-3-4-10(9(14)6-7)16-19(17,18)11-8(13)2-1-5-15-11/h1-6,16H.
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide?
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 349.16 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103299113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).