1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

C7H8N4O3S — CID 116787108

IUPAC1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H8N4O3S/c1-5(4-8)15(13,14)11-6-2-3-7(12)10-9-6/h2-3,5H,1H3,(H,9,11)(H,10,12)
InChIKeyQVOLXBCWNNSYNE-UHFFFAOYSA-N
MW228.23 g/mol
LogP-0.58
Rot. Bonds3

About 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (PubChem CID 116787108) has the molecular formula C7H8N4O3S and a molecular weight of 228.23 g/mol. Its IUPAC name is 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
PubChem CID116787108
Molecular FormulaC7H8N4O3S
Molecular Weight228.23 g/mol
Exact Mass228.03
IUPAC Name1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H8N4O3S/c1-5(4-8)15(13,14)11-6-2-3-7(12)10-9-6/h2-3,5H,1H3,(H,9,11)(H,10,12)
InChIKeyQVOLXBCWNNSYNE-UHFFFAOYSA-N
XLogP-0.58
TPSA115.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The IUPAC name of 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (CID 116787108) is 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.
What is the SMILES notation for 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The canonical SMILES for 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is CC(C#N)S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The InChIKey is QVOLXBCWNNSYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O3S/c1-5(4-8)15(13,14)11-6-2-3-7(12)10-9-6/h2-3,5H,1H3,(H,9,11)(H,10,12).
What are the key properties of 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide has a molecular weight of 228.23 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is sourced from PubChem (CID 116787108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).