2-pyridazin-3-ylethanesulfonamide

C6H9N3O2S — CID 68971992

IUPAC2-pyridazin-3-ylethanesulfonamide
SMILESNS(=O)(=O)CCc1cccnn1
InChIInChI=1S/C6H9N3O2S/c7-12(10,11)5-3-6-2-1-4-8-9-6/h1-2,4H,3,5H2,(H2,7,10,11)
InChIKeyHCCYYYVQJCNZLA-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.69
Rot. Bonds3

About 2-pyridazin-3-ylethanesulfonamide

2-pyridazin-3-ylethanesulfonamide (PubChem CID 68971992) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is 2-pyridazin-3-ylethanesulfonamide.

Molecular Properties

Compound Name2-pyridazin-3-ylethanesulfonamide
PubChem CID68971992
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name2-pyridazin-3-ylethanesulfonamide
SMILESNS(=O)(=O)CCc1cccnn1
InChIInChI=1S/C6H9N3O2S/c7-12(10,11)5-3-6-2-1-4-8-9-6/h1-2,4H,3,5H2,(H2,7,10,11)
InChIKeyHCCYYYVQJCNZLA-UHFFFAOYSA-N
XLogP-0.69
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-ylethanesulfonamide?
The IUPAC name of 2-pyridazin-3-ylethanesulfonamide (CID 68971992) is 2-pyridazin-3-ylethanesulfonamide.
What is the SMILES notation for 2-pyridazin-3-ylethanesulfonamide?
The canonical SMILES for 2-pyridazin-3-ylethanesulfonamide is NS(=O)(=O)CCc1cccnn1.
What is the InChIKey of 2-pyridazin-3-ylethanesulfonamide?
The InChIKey is HCCYYYVQJCNZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c7-12(10,11)5-3-6-2-1-4-8-9-6/h1-2,4H,3,5H2,(H2,7,10,11).
What are the key properties of 2-pyridazin-3-ylethanesulfonamide?
2-pyridazin-3-ylethanesulfonamide has a molecular weight of 187.22 g/mol, XLogP of -0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-ylethanesulfonamide is sourced from PubChem (CID 68971992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).