4-phenyl-1,2,5-oxadiazole-3-sulfonamide

C8H7N3O3S — CID 44542294

IUPAC4-phenyl-1,2,5-oxadiazole-3-sulfonamide
SMILESNS(=O)(=O)c1nonc1-c1ccccc1
InChIInChI=1S/C8H7N3O3S/c9-15(12,13)8-7(10-14-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)
InChIKeyZBVATTVEKLEURZ-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.38
Rot. Bonds2

About 4-phenyl-1,2,5-oxadiazole-3-sulfonamide

4-phenyl-1,2,5-oxadiazole-3-sulfonamide (PubChem CID 44542294) has the molecular formula C8H7N3O3S and a molecular weight of 225.23 g/mol. Its IUPAC name is 4-phenyl-1,2,5-oxadiazole-3-sulfonamide.

Molecular Properties

Compound Name4-phenyl-1,2,5-oxadiazole-3-sulfonamide
PubChem CID44542294
Molecular FormulaC8H7N3O3S
Molecular Weight225.23 g/mol
Exact Mass225.02
IUPAC Name4-phenyl-1,2,5-oxadiazole-3-sulfonamide
SMILESNS(=O)(=O)c1nonc1-c1ccccc1
InChIInChI=1S/C8H7N3O3S/c9-15(12,13)8-7(10-14-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,12,13)
InChIKeyZBVATTVEKLEURZ-UHFFFAOYSA-N
XLogP0.38
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2,5-oxadiazole-3-sulfonamide?
The IUPAC name of 4-phenyl-1,2,5-oxadiazole-3-sulfonamide (CID 44542294) is 4-phenyl-1,2,5-oxadiazole-3-sulfonamide.
What is the SMILES notation for 4-phenyl-1,2,5-oxadiazole-3-sulfonamide?
The canonical SMILES for 4-phenyl-1,2,5-oxadiazole-3-sulfonamide is NS(=O)(=O)c1nonc1-c1ccccc1.
What is the InChIKey of 4-phenyl-1,2,5-oxadiazole-3-sulfonamide?
The InChIKey is ZBVATTVEKLEURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O3S/c9-15(12,13)8-7(10-14-11-8)6-4-2-1-3-5-6/h1-5H,(H2,9,12,13).
What are the key properties of 4-phenyl-1,2,5-oxadiazole-3-sulfonamide?
4-phenyl-1,2,5-oxadiazole-3-sulfonamide has a molecular weight of 225.23 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,2,5-oxadiazole-3-sulfonamide is sourced from PubChem (CID 44542294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).