1-cyano-N-pyridazin-3-ylethanesulfonamide

C7H8N4O2S — CID 116787093

IUPAC1-cyano-N-pyridazin-3-ylethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C7H8N4O2S/c1-6(5-8)14(12,13)11-7-3-2-4-9-10-7/h2-4,6H,1H3,(H,10,11)
InChIKeyHYXDYXGGZDVNTI-UHFFFAOYSA-N
MW212.23 g/mol
LogP0.13
Rot. Bonds3

About 1-cyano-N-pyridazin-3-ylethanesulfonamide

1-cyano-N-pyridazin-3-ylethanesulfonamide (PubChem CID 116787093) has the molecular formula C7H8N4O2S and a molecular weight of 212.23 g/mol. Its IUPAC name is 1-cyano-N-pyridazin-3-ylethanesulfonamide.

Molecular Properties

Compound Name1-cyano-N-pyridazin-3-ylethanesulfonamide
PubChem CID116787093
Molecular FormulaC7H8N4O2S
Molecular Weight212.23 g/mol
Exact Mass212.04
IUPAC Name1-cyano-N-pyridazin-3-ylethanesulfonamide
SMILESCC(C#N)S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C7H8N4O2S/c1-6(5-8)14(12,13)11-7-3-2-4-9-10-7/h2-4,6H,1H3,(H,10,11)
InChIKeyHYXDYXGGZDVNTI-UHFFFAOYSA-N
XLogP0.13
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyano-N-(1,2,4-triazin-3-yl)ethanesulfonamide
CID 114387990
N-(4-bromo-2-pyridinyl)-1-cyanoethanesulfonamide
CID 102820674
3-(1-cyanoethylsulfonylamino)pyridine-2-carboxylic acid
CID 104740574
2-(propan-2-ylamino)-N-pyridazin-3-ylethanesulfonamide
CID 116787333
3-[6-(1-cyanoethylsulfonylamino)-2-pyridinyl]prop-2-enoic acid
CID 77072873
2-cyano-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 106596256
1-cyano-N-(2,6-difluoro-3-pyridinyl)ethanesulfonamide
CID 103098247
4-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 118115921
1-cyano-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]ethanesulfonamide
CID 102821588
2-(2-aminophenyl)sulfanyl-N-pyridazin-3-ylethanesulfonamide
CID 116786165
3-[[3-aminopropyl(methyl)sulfamoyl]amino]pyridazine
CID 116786561
(E)-3-[2-(1-cyanoethylsulfonylamino)-4-pyridinyl]prop-2-enoic acid
CID 102822166

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-pyridazin-3-ylethanesulfonamide?
The IUPAC name of 1-cyano-N-pyridazin-3-ylethanesulfonamide (CID 116787093) is 1-cyano-N-pyridazin-3-ylethanesulfonamide.
What is the SMILES notation for 1-cyano-N-pyridazin-3-ylethanesulfonamide?
The canonical SMILES for 1-cyano-N-pyridazin-3-ylethanesulfonamide is CC(C#N)S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 1-cyano-N-pyridazin-3-ylethanesulfonamide?
The InChIKey is HYXDYXGGZDVNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2S/c1-6(5-8)14(12,13)11-7-3-2-4-9-10-7/h2-4,6H,1H3,(H,10,11).
What are the key properties of 1-cyano-N-pyridazin-3-ylethanesulfonamide?
1-cyano-N-pyridazin-3-ylethanesulfonamide has a molecular weight of 212.23 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-pyridazin-3-ylethanesulfonamide is sourced from PubChem (CID 116787093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).