4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C22H23FN4O4S — CID 16885019

IUPAC4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23FN4O4S/c23-18-7-5-17(6-8-18)20-11-12-22(29)27(26-20)15-1-2-21(28)25-14-13-16-3-9-19(10-4-16)32(24,30)31/h3-12H,1-2,13-15H2,(H,25,28)(H2,24,30,31)
InChIKeyIZIQZXOSHATACW-UHFFFAOYSA-N
MW458.52 g/mol
LogP1.84
Rot. Bonds9

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

4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 16885019) has the molecular formula C22H23FN4O4S and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID16885019
Molecular FormulaC22H23FN4O4S
Molecular Weight458.52 g/mol
Exact Mass458.14
IUPAC Name4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23FN4O4S/c23-18-7-5-17(6-8-18)20-11-12-22(29)27(26-20)15-1-2-21(28)25-14-13-16-3-9-19(10-4-16)32(24,30)31/h3-12H,1-2,13-15H2,(H,25,28)(H2,24,30,31)
InChIKeyIZIQZXOSHATACW-UHFFFAOYSA-N
XLogP1.84
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
CID 16885174
N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885718
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-propan-2-ylbutanamide
CID 16884867
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7664506
4-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[(4-fluorophenyl)methyl]butanamide
CID 16885563
N-[3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propyl]-2-phenoxyacetamide
CID 42138740
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885044
4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885013
2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121050978
N-[2-(4-chlorophenyl)ethyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 5156985
4-fluoro-N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 18569804
4-fluoro-N-[3-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]propyl]benzenesulfonamide
CID 42138848

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide (CID 16885019) is 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is NS(=O)(=O)c1ccc(CCNC(=O)CCCn2nc(-c3ccc(F)cc3)ccc2=O)cc1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is IZIQZXOSHATACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4S/c23-18-7-5-17(6-8-18)20-11-12-22(29)27(26-20)15-1-2-21(28)25-14-13-16-3-9-19(10-4-16)32(24,30)31/h3-12H,1-2,13-15H2,(H,25,28)(H2,24,30,31).
What are the key properties of 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide?
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 458.52 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 16885019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).