1,2,5-thiadiazole-3-sulfonamide

C2H3N3O2S2 — CID 57318095

IUPAC1,2,5-thiadiazole-3-sulfonamide
SMILESNS(=O)(=O)c1cnsn1
InChIInChI=1S/C2H3N3O2S2/c3-9(6,7)2-1-4-8-5-2/h1H,(H2,3,6,7)
InChIKeyKLFUUMMZSTXBJS-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.81
Rot. Bonds1

About 1,2,5-thiadiazole-3-sulfonamide

1,2,5-thiadiazole-3-sulfonamide (PubChem CID 57318095) has the molecular formula C2H3N3O2S2 and a molecular weight of 165.20 g/mol. Its IUPAC name is 1,2,5-thiadiazole-3-sulfonamide.

Molecular Properties

Compound Name1,2,5-thiadiazole-3-sulfonamide
PubChem CID57318095
Molecular FormulaC2H3N3O2S2
Molecular Weight165.20 g/mol
Exact Mass164.97
IUPAC Name1,2,5-thiadiazole-3-sulfonamide
SMILESNS(=O)(=O)c1cnsn1
InChIInChI=1S/C2H3N3O2S2/c3-9(6,7)2-1-4-8-5-2/h1H,(H2,3,6,7)
InChIKeyKLFUUMMZSTXBJS-UHFFFAOYSA-N
XLogP-0.81
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-thiadiazole-3-sulfonamide?
The IUPAC name of 1,2,5-thiadiazole-3-sulfonamide (CID 57318095) is 1,2,5-thiadiazole-3-sulfonamide.
What is the SMILES notation for 1,2,5-thiadiazole-3-sulfonamide?
The canonical SMILES for 1,2,5-thiadiazole-3-sulfonamide is NS(=O)(=O)c1cnsn1.
What is the InChIKey of 1,2,5-thiadiazole-3-sulfonamide?
The InChIKey is KLFUUMMZSTXBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N3O2S2/c3-9(6,7)2-1-4-8-5-2/h1H,(H2,3,6,7).
What are the key properties of 1,2,5-thiadiazole-3-sulfonamide?
1,2,5-thiadiazole-3-sulfonamide has a molecular weight of 165.20 g/mol, XLogP of -0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-thiadiazole-3-sulfonamide is sourced from PubChem (CID 57318095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).