6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one

C22H23FN4O3S — CID 53081514

IUPAC6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c(C)c1
InChIInChI=1S/C22H23FN4O3S/c1-16-3-8-20(17(2)15-16)31(29,30)26-13-11-25(12-14-26)21-9-10-22(28)27(24-21)19-6-4-18(23)5-7-19/h3-10,15H,11-14H2,1-2H3
InChIKeyHWCSJHNEFIPODZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.50
Rot. Bonds4

About 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one

6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one (PubChem CID 53081514) has the molecular formula C22H23FN4O3S and a molecular weight of 442.52 g/mol. Its IUPAC name is 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
PubChem CID53081514
Molecular FormulaC22H23FN4O3S
Molecular Weight442.52 g/mol
Exact Mass442.15
IUPAC Name6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one
SMILESCc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c(C)c1
InChIInChI=1S/C22H23FN4O3S/c1-16-3-8-20(17(2)15-16)31(29,30)26-13-11-25(12-14-26)21-9-10-22(28)27(24-21)19-6-4-18(23)5-7-19/h3-10,15H,11-14H2,1-2H3
InChIKeyHWCSJHNEFIPODZ-UHFFFAOYSA-N
XLogP2.50
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one
CID 53081678
N-[2-[4-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]piperazin-1-yl]sulfonyl-4-methylphenyl]acetamide
CID 53081527
2-(4-methylphenyl)-6-[4-(2,4,5-trimethylphenyl)sulfonyl-1,4-diazepan-1-yl]pyridazin-3-one
CID 46335163
6-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081668
6-[4-(3-chloro-2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 50789259
1-(3,4-dichlorophenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 991799
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-piperidin-1-ylpyridazine
CID 122334812
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 122341372
6-[4-[1-(difluoromethyl)-5-methylpyrazol-4-yl]sulfonylpiperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081561
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 55755215
6-[4-(3,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 46335140
1-(3-chloro-4-methylphenyl)-4-(2,4-dimethylphenyl)sulfonylpiperazine
CID 2137811

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one (CID 53081514) is 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one is Cc1ccc(S(=O)(=O)N2CCN(c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)c(C)c1.
What is the InChIKey of 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is HWCSJHNEFIPODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3S/c1-16-3-8-20(17(2)15-16)31(29,30)26-13-11-25(12-14-26)21-9-10-22(28)27(24-21)19-6-4-18(23)5-7-19/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one?
6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 442.52 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 53081514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).