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

C22H23N3O5S — CID 41246496

IUPAC4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESCCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(C(C)=O)cc3)nn2)cc1
InChIInChI=1S/C22H23N3O5S/c1-3-29-19-8-4-18(5-9-19)21-12-13-22(25-24-21)30-15-14-23-31(27,28)20-10-6-17(7-11-20)16(2)26/h4-13,23H,3,14-15H2,1-2H3
InChIKeyFLBDPKBAOPOGGJ-UHFFFAOYSA-N
MW441.51 g/mol
LogP3.10
Rot. Bonds10

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

4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (PubChem CID 41246496) has the molecular formula C22H23N3O5S and a molecular weight of 441.51 g/mol. Its IUPAC name is 4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
PubChem CID41246496
Molecular FormulaC22H23N3O5S
Molecular Weight441.51 g/mol
Exact Mass441.14
IUPAC Name4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESCCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(C(C)=O)cc3)nn2)cc1
InChIInChI=1S/C22H23N3O5S/c1-3-29-19-8-4-18(5-9-19)21-12-13-22(25-24-21)30-15-14-23-31(27,28)20-10-6-17(7-11-20)16(2)26/h4-13,23H,3,14-15H2,1-2H3
InChIKeyFLBDPKBAOPOGGJ-UHFFFAOYSA-N
XLogP3.10
TPSA107.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 53.10
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

N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
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
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013
4-chloro-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589564
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
2-ethoxy-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzamide
CID 18589577
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide
CID 41246392

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (CID 41246496) is 4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc(C(C)=O)cc3)nn2)cc1.
What is the InChIKey of 4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The InChIKey is FLBDPKBAOPOGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S/c1-3-29-19-8-4-18(5-9-19)21-12-13-22(25-24-21)30-15-14-23-31(27,28)20-10-6-17(7-11-20)16(2)26/h4-13,23H,3,14-15H2,1-2H3.
What are the key properties of 4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide has a molecular weight of 441.51 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 41246496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).