About 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide
2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2991996) has the molecular formula C11H10N2O3S2
and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide.
Molecular Properties
| Compound Name | 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide |
| PubChem CID | 2991996 |
| Molecular Formula | C11H10N2O3S2 |
| Molecular Weight | 282.35 g/mol |
| Exact Mass | 282.01 |
| IUPAC Name | 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide |
| SMILES | O=C(CS(=O)(=O)c1ccccc1)Nc1nccs1 |
| InChI | InChI=1S/C11H10N2O3S2/c14-10(13-11-12-6-7-17-11)8-18(15,16)9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14) |
| InChIKey | HNQRWPWTJUOMCW-UHFFFAOYSA-N |
| XLogP | 1.56 |
| TPSA | 76.13 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 282.35 |
| LogP ≤ 5 | 1.56 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide (CID 2991996) is 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CS(=O)(=O)c1ccccc1)Nc1nccs1.
What is the InChIKey of 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HNQRWPWTJUOMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c14-10(13-11-12-6-7-17-11)8-18(15,16)9-4-2-1-3-5-9/h1-7H,8H2,(H,12,13,14).
What are the key properties of 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 282.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2991996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).