4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide

C17H24N4O3S — CID 113044745

IUPAC4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc(OCC)cc2)nn1
InChIInChI=1S/C17H24N4O3S/c1-3-5-6-13-18-16-11-12-17(20-19-16)21-25(22,23)15-9-7-14(8-10-15)24-4-2/h7-12H,3-6,13H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyLIBRFLNJYHLWCV-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.28
Rot. Bonds10

About 4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide

4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113044745) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide
PubChem CID113044745
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide
SMILESCCCCCNc1ccc(NS(=O)(=O)c2ccc(OCC)cc2)nn1
InChIInChI=1S/C17H24N4O3S/c1-3-5-6-13-18-16-11-12-17(20-19-16)21-25(22,23)15-9-7-14(8-10-15)24-4-2/h7-12H,3-6,13H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyLIBRFLNJYHLWCV-UHFFFAOYSA-N
XLogP3.28
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113040198
N-[6-(butylamino)pyridazin-3-yl]-4-fluorobenzenesulfonamide
CID 16942060
N-[6-(butylamino)pyridazin-3-yl]-4-propan-2-ylbenzenesulfonamide
CID 113038394
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113038166
N-[6-(pentylamino)pyridazin-3-yl]methanesulfonamide
CID 113044700
N-[6-(cyclohexylamino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113039174
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-4-methoxybenzenesulfonamide
CID 16941927
4-ethoxy-N-(6-pyrrolidin-1-ylpyridazin-3-yl)benzenesulfonamide
CID 113038808
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]-4-ethoxybenzenesulfonamide
CID 113046481
N-[6-(pentylamino)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113044728
N-[6-(pentylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113044727
N-[6-(butylamino)pyridazin-3-yl]-2-methylbenzenesulfonamide
CID 113038430

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide (CID 113044745) is 4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide is CCCCCNc1ccc(NS(=O)(=O)c2ccc(OCC)cc2)nn1.
What is the InChIKey of 4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is LIBRFLNJYHLWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-3-5-6-13-18-16-11-12-17(20-19-16)21-25(22,23)15-9-7-14(8-10-15)24-4-2/h7-12H,3-6,13H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide?
4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[6-(pentylamino)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113044745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).