4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one

C22H17FN2O3S2 — CID 10297026

IUPAC4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccsc1-n1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C22H17FN2O3S2/c1-14-11-12-29-22(14)25-21(26)20(16-3-7-17(23)8-4-16)19(13-24-25)15-5-9-18(10-6-15)30(2,27)28/h3-13H,1-2H3
InChIKeyGUHBBGPXLZOYSE-UHFFFAOYSA-N
MW440.52 g/mol
LogP4.48
Rot. Bonds4

About 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one

4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one (PubChem CID 10297026) has the molecular formula C22H17FN2O3S2 and a molecular weight of 440.52 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one
PubChem CID10297026
Molecular FormulaC22H17FN2O3S2
Molecular Weight440.52 g/mol
Exact Mass440.07
IUPAC Name4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one
SMILESCc1ccsc1-n1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C22H17FN2O3S2/c1-14-11-12-29-22(14)25-21(26)20(16-3-7-17(23)8-4-16)19(13-24-25)15-5-9-18(10-6-15)30(2,27)28/h3-13H,1-2H3
InChIKeyGUHBBGPXLZOYSE-UHFFFAOYSA-N
XLogP4.48
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluorophenyl)-2,5-bis(4-methylsulfonylphenyl)pyridazin-3-one
CID 10185280
2-(2-bromophenyl)-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 139947672
4-(4-fluorophenyl)-2-(3-methylphenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
CID 10296606
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 10180820
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(4-phenoxyphenyl)pyridazin-3-one
CID 10142368
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(2-phenylethenyl)pyridazin-3-one
CID 174386856
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(pyridin-2-ylmethyl)pyridazin-3-one
CID 10224932
3-(4-fluorophenyl)-1-(3-methylthiophen-2-yl)-4-pyridin-4-ylpyrazol-5-amine
CID 67635045
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(quinolin-2-ylmethyl)pyridazin-3-one
CID 10206370
2,4-bis(4-fluorophenyl)-5-(4-methylselanylphenyl)pyridazin-3-one
CID 10138955
[4-[5-(4-fluorophenyl)-6-oxo-1-thiophen-2-ylpyridazin-4-yl]phenyl]methanesulfinate
CID 174386585
4-[2-[5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-6-oxopyridazin-1-yl]acetyl]benzonitrile
CID 10117090

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one?
The IUPAC name of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one (CID 10297026) is 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one is Cc1ccsc1-n1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one?
The InChIKey is GUHBBGPXLZOYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3S2/c1-14-11-12-29-22(14)25-21(26)20(16-3-7-17(23)8-4-16)19(13-24-25)15-5-9-18(10-6-15)30(2,27)28/h3-13H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one?
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one has a molecular weight of 440.52 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(3-methylthiophen-2-yl)pyridazin-3-one is sourced from PubChem (CID 10297026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).