4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide

C20H16FN5O3S — CID 59369961

IUPAC4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2ccc(=O)c(-c3ccnn3-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C20H16FN5O3S/c1-22-30(28,29)17-7-5-15(6-8-17)25-12-10-19(27)20(24-25)18-9-11-23-26(18)16-4-2-3-14(21)13-16/h2-13,22H,1H3
InChIKeyGZKSQECIXYDKEI-UHFFFAOYSA-N
MW425.45 g/mol
LogP2.13
Rot. Bonds5

About 4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide

4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide (PubChem CID 59369961) has the molecular formula C20H16FN5O3S and a molecular weight of 425.45 g/mol. Its IUPAC name is 4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide
PubChem CID59369961
Molecular FormulaC20H16FN5O3S
Molecular Weight425.45 g/mol
Exact Mass425.10
IUPAC Name4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-n2ccc(=O)c(-c3ccnn3-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C20H16FN5O3S/c1-22-30(28,29)17-7-5-15(6-8-17)25-12-10-19(27)20(24-25)18-9-11-23-26(18)16-4-2-3-14(21)13-16/h2-13,22H,1H3
InChIKeyGZKSQECIXYDKEI-UHFFFAOYSA-N
XLogP2.13
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide (CID 59369961) is 4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-n2ccc(=O)c(-c3ccnn3-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is GZKSQECIXYDKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O3S/c1-22-30(28,29)17-7-5-15(6-8-17)25-12-10-19(27)20(24-25)18-9-11-23-26(18)16-4-2-3-14(21)13-16/h2-13,22H,1H3.
What are the key properties of 4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide?
4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 425.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3-fluorophenyl)pyrazol-3-yl]-4-oxopyridazin-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 59369961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).