2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide

C22H24FN3O4S — CID 90518927

IUPAC2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C22H24FN3O4S/c1-2-17-3-9-20(10-4-17)30-15-16-31(28,29)24-13-14-26-22(27)12-11-21(25-26)18-5-7-19(23)8-6-18/h3-12,24H,2,13-16H2,1H3
InChIKeyZIMURIBBZGMGAW-UHFFFAOYSA-N
MW445.52 g/mol
LogP2.61
Rot. Bonds10

About 2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide

2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide (PubChem CID 90518927) has the molecular formula C22H24FN3O4S and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide
PubChem CID90518927
Molecular FormulaC22H24FN3O4S
Molecular Weight445.52 g/mol
Exact Mass445.15
IUPAC Name2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C22H24FN3O4S/c1-2-17-3-9-20(10-4-17)30-15-16-31(28,29)24-13-14-26-22(27)12-11-21(25-26)18-5-7-19(23)8-6-18/h3-12,24H,2,13-16H2,1H3
InChIKeyZIMURIBBZGMGAW-UHFFFAOYSA-N
XLogP2.61
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]methanesulfonamide
CID 41241395
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-phenylethanesulfonamide
CID 16820346
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-3,5-difluorobenzenesulfonamide
CID 121034045
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121050978
4-fluoro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 18569804
2-(4-methoxyphenoxy)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]ethanesulfonamide
CID 90518508
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
4-butoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 41241285
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 41241532
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 41241538
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]naphthalene-2-sulfonamide
CID 41241586
2-methoxy-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 121034026

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide (CID 90518927) is 2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide is CCc1ccc(OCCS(=O)(=O)NCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide?
The InChIKey is ZIMURIBBZGMGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O4S/c1-2-17-3-9-20(10-4-17)30-15-16-31(28,29)24-13-14-26-22(27)12-11-21(25-26)18-5-7-19(23)8-6-18/h3-12,24H,2,13-16H2,1H3.
What are the key properties of 2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide?
2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide has a molecular weight of 445.52 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 90518927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).