5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide

C11H12BrN5O3S — CID 116787848

IUPAC5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H12BrN5O3S/c1-2-13-11-8(5-7(12)6-14-11)21(19,20)17-9-3-4-10(18)16-15-9/h3-6H,2H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyJWZCRVWDKKVYFK-UHFFFAOYSA-N
MW374.22 g/mol
LogP1.16
Rot. Bonds5

About 5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide

5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide (PubChem CID 116787848) has the molecular formula C11H12BrN5O3S and a molecular weight of 374.22 g/mol. Its IUPAC name is 5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide
PubChem CID116787848
Molecular FormulaC11H12BrN5O3S
Molecular Weight374.22 g/mol
Exact Mass372.98
IUPAC Name5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide
SMILESCCNc1ncc(Br)cc1S(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C11H12BrN5O3S/c1-2-13-11-8(5-7(12)6-14-11)21(19,20)17-9-3-4-10(18)16-15-9/h3-6H,2H2,1H3,(H,13,14)(H,15,17)(H,16,18)
InChIKeyJWZCRVWDKKVYFK-UHFFFAOYSA-N
XLogP1.16
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787807
5-bromo-2-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62148821
3-amino-5-bromo-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 114380367
5-bromo-2-(ethylamino)-N-(2-fluorophenyl)pyridine-3-sulfonamide
CID 62143490
2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide
CID 106081790
2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081796
5-bromo-2-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-sulfonamide
CID 62146629
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
5-bromo-2-(propylamino)-N-pyrazin-2-ylpyridine-3-sulfonamide
CID 62145613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide (CID 116787848) is 5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide is CCNc1ncc(Br)cc1S(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide?
The InChIKey is JWZCRVWDKKVYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN5O3S/c1-2-13-11-8(5-7(12)6-14-11)21(19,20)17-9-3-4-10(18)16-15-9/h3-6H,2H2,1H3,(H,13,14)(H,15,17)(H,16,18).
What are the key properties of 5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide?
5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide has a molecular weight of 374.22 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 116787848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).