2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide

C17H20N6O3S — CID 122292910

IUPAC2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C17H20N6O3S/c24-27(25,14-13-26-15-5-2-1-3-6-15)20-11-10-18-16-7-8-17(22-21-16)23-12-4-9-19-23/h1-9,12,20H,10-11,13-14H2,(H,18,21)
InChIKeyDBFCKQBINMUUND-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.07
Rot. Bonds10

About 2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide

2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide (PubChem CID 122292910) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide
PubChem CID122292910
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCCNc1ccc(-n2cccn2)nn1
InChIInChI=1S/C17H20N6O3S/c24-27(25,14-13-26-15-5-2-1-3-6-15)20-11-10-18-16-7-8-17(22-21-16)23-12-4-9-19-23/h1-9,12,20H,10-11,13-14H2,(H,18,21)
InChIKeyDBFCKQBINMUUND-UHFFFAOYSA-N
XLogP1.07
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 16654544
4-cyano-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122292941
3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122292893
N-[2-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-phenylmethanesulfonamide
CID 16654390
N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-2-phenoxyethanesulfonamide
CID 122294281
1-(4-fluorophenyl)-N-[2-[(6-pyrrol-1-ylpyridazin-3-yl)amino]ethyl]methanesulfonamide
CID 122307552
2-methoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292649
N-ethyl-6-pyrazol-1-ylpyridazin-3-amine
CID 130693230
2-phenoxy-N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 70702527
benzyl N-[2-oxo-2-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethylamino]ethyl]carbamate
CID 122292820
2-ethyl-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]butanamide
CID 16654552
2-[methyl(methylsulfonyl)amino]-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122292782

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide?
The IUPAC name of 2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide (CID 122292910) is 2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide.
What is the SMILES notation for 2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide?
The canonical SMILES for 2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide is O=S(=O)(CCOc1ccccc1)NCCNc1ccc(-n2cccn2)nn1.
What is the InChIKey of 2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide?
The InChIKey is DBFCKQBINMUUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c24-27(25,14-13-26-15-5-2-1-3-6-15)20-11-10-18-16-7-8-17(22-21-16)23-12-4-9-19-23/h1-9,12,20H,10-11,13-14H2,(H,18,21).
What are the key properties of 2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide?
2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 1.07, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]ethanesulfonamide is sourced from PubChem (CID 122292910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).