2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide

C22H23FN4O4S — CID 3224413

IUPAC2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23FN4O4S/c1-15(2)13-24-32(30,31)19-9-7-18(8-10-19)25-21(28)14-27-22(29)12-11-20(26-27)16-3-5-17(23)6-4-16/h3-12,15,24H,13-14H2,1-2H3,(H,25,28)
InChIKeyYGUBJNNZNFOXDV-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.62
Rot. Bonds8

About 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide

2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide (PubChem CID 3224413) has the molecular formula C22H23FN4O4S and a molecular weight of 458.52 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide
PubChem CID3224413
Molecular FormulaC22H23FN4O4S
Molecular Weight458.52 g/mol
Exact Mass458.14
IUPAC Name2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C22H23FN4O4S/c1-15(2)13-24-32(30,31)19-9-7-18(8-10-19)25-21(28)14-27-22(29)12-11-20(26-27)16-3-5-17(23)6-4-16/h3-12,15,24H,13-14H2,1-2H3,(H,25,28)
InChIKeyYGUBJNNZNFOXDV-UHFFFAOYSA-N
XLogP2.62
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide (CID 3224413) is 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide is CC(C)CNS(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide?
The InChIKey is YGUBJNNZNFOXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4S/c1-15(2)13-24-32(30,31)19-9-7-18(8-10-19)25-21(28)14-27-22(29)12-11-20(26-27)16-3-5-17(23)6-4-16/h3-12,15,24H,13-14H2,1-2H3,(H,25,28).
What are the key properties of 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide?
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide has a molecular weight of 458.52 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[4-(2-methylpropylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3224413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).