About N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide (PubChem CID 2405422) has the molecular formula C9H7ClN2O2S2
and a molecular weight of 274.75 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide.
Molecular Properties
| Compound Name | N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide |
| PubChem CID | 2405422 |
| Molecular Formula | C9H7ClN2O2S2 |
| Molecular Weight | 274.75 g/mol |
| Exact Mass | 273.96 |
| IUPAC Name | N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide |
| SMILES | O=S(=O)(Nc1cccnc1Cl)c1cccs1 |
| InChI | InChI=1S/C9H7ClN2O2S2/c10-9-7(3-1-5-11-9)12-16(13,14)8-4-2-6-15-8/h1-6,12H |
| InChIKey | JOTXFKAVBGNHGR-UHFFFAOYSA-N |
| XLogP | 2.60 |
| TPSA | 59.06 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 274.75 |
| LogP ≤ 5 | 2.60 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide (CID 2405422) is N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide is O=S(=O)(Nc1cccnc1Cl)c1cccs1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide?
The InChIKey is JOTXFKAVBGNHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2S2/c10-9-7(3-1-5-11-9)12-16(13,14)8-4-2-6-15-8/h1-6,12H.
What are the key properties of N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide?
N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide has a molecular weight of 274.75 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2405422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).