5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide

C11H12BrN5O2S — CID 116787807

IUPAC5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C11H12BrN5O2S/c1-2-13-11-9(6-8(12)7-14-11)20(18,19)17-10-4-3-5-15-16-10/h3-7H,2H2,1H3,(H,13,14)(H,16,17)
InChIKeyGLUNLGCDZXLCIB-UHFFFAOYSA-N
MW358.22 g/mol
LogP1.87
Rot. Bonds5

About 5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide (PubChem CID 116787807) has the molecular formula C11H12BrN5O2S and a molecular weight of 358.22 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
PubChem CID116787807
Molecular FormulaC11H12BrN5O2S
Molecular Weight358.22 g/mol
Exact Mass356.99
IUPAC Name5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C11H12BrN5O2S/c1-2-13-11-9(6-8(12)7-14-11)20(18,19)17-10-4-3-5-15-16-10/h3-7H,2H2,1H3,(H,13,14)(H,16,17)
InChIKeyGLUNLGCDZXLCIB-UHFFFAOYSA-N
XLogP1.87
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.22
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-(methylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787819
5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide
CID 116787848
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 62143490
6-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787805
5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62145613
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide
CID 106084083
5-bromo-N-cyclopentyl-2-(ethylamino)pyridine-3-sulfonamide
CID 62148815
5-bromo-2-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 63962280
5-bromo-2-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-sulfonamide
CID 62158378
5-bromo-N-[2-(diethylamino)ethyl]-2-(ethylamino)pyridine-3-sulfonamide
CID 62150579

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide (CID 116787807) is 5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide?
The InChIKey is GLUNLGCDZXLCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O2S/c1-2-13-11-9(6-8(12)7-14-11)20(18,19)17-10-4-3-5-15-16-10/h3-7H,2H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide has a molecular weight of 358.22 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide is sourced from PubChem (CID 116787807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).