About 4-amino-N-thiophen-3-ylbenzenesulfonamide
4-amino-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66351658) has the molecular formula C10H10N2O2S2
and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-amino-N-thiophen-3-ylbenzenesulfonamide.
Molecular Properties
| Compound Name | 4-amino-N-thiophen-3-ylbenzenesulfonamide |
| PubChem CID | 66351658 |
| Molecular Formula | C10H10N2O2S2 |
| Molecular Weight | 254.34 g/mol |
| Exact Mass | 254.02 |
| IUPAC Name | 4-amino-N-thiophen-3-ylbenzenesulfonamide |
| SMILES | Nc1ccc(S(=O)(=O)Nc2ccsc2)cc1 |
| InChI | InChI=1S/C10H10N2O2S2/c11-8-1-3-10(4-2-8)16(13,14)12-9-5-6-15-7-9/h1-7,12H,11H2 |
| InChIKey | FFWKDQKEFGMVLT-UHFFFAOYSA-N |
| XLogP | 2.13 |
| TPSA | 72.19 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 254.34 |
| LogP ≤ 5 | 2.13 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 4-amino-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 4-amino-N-thiophen-3-ylbenzenesulfonamide (CID 66351658) is 4-amino-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-thiophen-3-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccsc2)cc1.
What is the InChIKey of 4-amino-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is FFWKDQKEFGMVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c11-8-1-3-10(4-2-8)16(13,14)12-9-5-6-15-7-9/h1-7,12H,11H2.
What are the key properties of 4-amino-N-thiophen-3-ylbenzenesulfonamide?
4-amino-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 254.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66351658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).