1,2,4-oxadiazole-3-sulfonamide

C2H3N3O3S — CID 19939751

IUPAC1,2,4-oxadiazole-3-sulfonamide
SMILESNS(=O)(=O)c1ncon1
InChIInChI=1S/C2H3N3O3S/c3-9(6,7)2-4-1-8-5-2/h1H,(H2,3,6,7)
InChIKeySBFJJTPTMUYAKM-UHFFFAOYSA-N
MW149.13 g/mol
LogP-1.28
Rot. Bonds1

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

1,2,4-oxadiazole-3-sulfonamide (PubChem CID 19939751) has the molecular formula C2H3N3O3S and a molecular weight of 149.13 g/mol. Its IUPAC name is 1,2,4-oxadiazole-3-sulfonamide.

Molecular Properties

Compound Name1,2,4-oxadiazole-3-sulfonamide
PubChem CID19939751
Molecular FormulaC2H3N3O3S
Molecular Weight149.13 g/mol
Exact Mass148.99
IUPAC Name1,2,4-oxadiazole-3-sulfonamide
SMILESNS(=O)(=O)c1ncon1
InChIInChI=1S/C2H3N3O3S/c3-9(6,7)2-4-1-8-5-2/h1H,(H2,3,6,7)
InChIKeySBFJJTPTMUYAKM-UHFFFAOYSA-N
XLogP-1.28
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.13
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-oxadiazole-3-sulfonamide?
The IUPAC name of 1,2,4-oxadiazole-3-sulfonamide (CID 19939751) is 1,2,4-oxadiazole-3-sulfonamide.
What is the SMILES notation for 1,2,4-oxadiazole-3-sulfonamide?
The canonical SMILES for 1,2,4-oxadiazole-3-sulfonamide is NS(=O)(=O)c1ncon1.
What is the InChIKey of 1,2,4-oxadiazole-3-sulfonamide?
The InChIKey is SBFJJTPTMUYAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3O3S/c3-9(6,7)2-4-1-8-5-2/h1H,(H2,3,6,7).
What are the key properties of 1,2,4-oxadiazole-3-sulfonamide?
1,2,4-oxadiazole-3-sulfonamide has a molecular weight of 149.13 g/mol, XLogP of -1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-oxadiazole-3-sulfonamide is sourced from PubChem (CID 19939751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).