4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide

C₁₂H₉N₃O₃S₂ — CID 155555817

About 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide

4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide (PubChem CID 155555817) has the molecular formula C₁₂H₉N₃O₃S₂ and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

• Compound Name: 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide
• PubChem CID: 155555817
• Molecular Formula: C₁₂H₉N₃O₃S₂
• Molecular Weight: 307.36 g/mol
• Exact Mass: 307.01
• IUPAC Name: 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide
• SMILES: NS(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)cs1
• InChI: InChI=1S/C12H9N3O3S2/c13-20(16,17)10-6-9(7-19-10)12-14-11(15-18-12)8-4-2-1-3-5-8/h1-7H,(H2,13,16,17)
• InChIKey: DNEQUSLFWXCBKT-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 99.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.36
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide?

The IUPAC name of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide (CID 155555817) is 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide.

What is the SMILES notation for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide?

The canonical SMILES for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide is NS(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)cs1.

What is the InChIKey of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide?

The InChIKey is DNEQUSLFWXCBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S2/c13-20(16,17)10-6-9(7-19-10)12-14-11(15-18-12)8-4-2-1-3-5-8/h1-7H,(H2,13,16,17).

What are the key properties of 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide?

4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 307.36 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 155555817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155555817 — identifiers, structure, computed properties (public domain)

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