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

C12H9N3O3S2 — CID 155540596

IUPAC4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(-c2noc(-c3ccccc3)n2)cs1
InChIInChI=1S/C12H9N3O3S2/c13-20(16,17)10-6-9(7-19-10)11-14-12(18-15-11)8-4-2-1-3-5-8/h1-7H,(H2,13,16,17)
InChIKeyHADAFEJYNHAFKI-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.11
Rot. Bonds3

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

4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide (PubChem CID 155540596) has the molecular formula C12H9N3O3S2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
PubChem CID155540596
Molecular FormulaC12H9N3O3S2
Molecular Weight307.36 g/mol
Exact Mass307.01
IUPAC Name4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc(-c2noc(-c3ccccc3)n2)cs1
InChIInChI=1S/C12H9N3O3S2/c13-20(16,17)10-6-9(7-19-10)11-14-12(18-15-11)8-4-2-1-3-5-8/h1-7H,(H2,13,16,17)
InChIKeyHADAFEJYNHAFKI-UHFFFAOYSA-N
XLogP2.11
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide (CID 155540596) is 4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide is NS(=O)(=O)c1cc(-c2noc(-c3ccccc3)n2)cs1.
What is the InChIKey of 4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is HADAFEJYNHAFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O3S2/c13-20(16,17)10-6-9(7-19-10)11-14-12(18-15-11)8-4-2-1-3-5-8/h1-7H,(H2,13,16,17).
What are the key properties of 4-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide?
4-(5-phenyl-1,2,4-oxadiazol-3-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-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 155540596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).