N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide

C21H23N3O5S — CID 41246477

IUPACN-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C21H23N3O5S/c1-3-28-18-6-4-16(5-7-18)20-12-13-21(24-23-20)29-15-14-22-30(25,26)19-10-8-17(27-2)9-11-19/h4-13,22H,3,14-15H2,1-2H3
InChIKeyGUPODOQQFNEADL-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.91
Rot. Bonds10

About N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide

N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide (PubChem CID 41246477) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
PubChem CID41246477
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
SMILESCCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(OC)cc3)nn2)cc1
InChIInChI=1S/C21H23N3O5S/c1-3-28-18-6-4-16(5-7-18)20-12-13-21(24-23-20)29-15-14-22-30(25,26)19-10-8-17(27-2)9-11-19/h4-13,22H,3,14-15H2,1-2H3
InChIKeyGUPODOQQFNEADL-UHFFFAOYSA-N
XLogP2.91
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621
4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246496
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide
CID 41246500
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 41246550
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
3-fluoro-4-methoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845004
2-ethoxy-N-[2-[6-(4-methoxyphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589538
4-iodo-N-[2-[[3-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy]ethyl]benzenesulfonamide
CID 121059260

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide (CID 41246477) is N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide is CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(OC)cc3)nn2)cc1.
What is the InChIKey of N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide?
The InChIKey is GUPODOQQFNEADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-3-28-18-6-4-16(5-7-18)20-12-13-21(24-23-20)29-15-14-22-30(25,26)19-10-8-17(27-2)9-11-19/h4-13,22H,3,14-15H2,1-2H3.
What are the key properties of N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide?
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide has a molecular weight of 429.50 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 41246477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).