2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

C19H17FN2O3S — CID 10133860

IUPAC2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1=O
InChIInChI=1S/C19H17FN2O3S/c1-3-22-18(23)12-17(13-6-10-16(11-7-13)26(2,24)25)19(21-22)14-4-8-15(20)9-5-14/h4-12H,3H2,1-2H3
InChIKeyFCBYDHKSDHFPCS-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.14
Rot. Bonds4

About 2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one

2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (PubChem CID 10133860) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
PubChem CID10133860
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one
SMILESCCn1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1=O
InChIInChI=1S/C19H17FN2O3S/c1-3-22-18(23)12-17(13-6-10-16(11-7-13)26(2,24)25)19(21-22)14-4-8-15(20)9-5-14/h4-12H,3H2,1-2H3
InChIKeyFCBYDHKSDHFPCS-UHFFFAOYSA-N
XLogP3.14
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The IUPAC name of 2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one (CID 10133860) is 2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The canonical SMILES for 2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is CCn1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)cc1=O.
What is the InChIKey of 2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
The InChIKey is FCBYDHKSDHFPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-3-22-18(23)12-17(13-6-10-16(11-7-13)26(2,24)25)19(21-22)14-4-8-15(20)9-5-14/h4-12H,3H2,1-2H3.
What are the key properties of 2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one?
2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one has a molecular weight of 372.42 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyridazin-3-one is sourced from PubChem (CID 10133860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).