5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one

C10H7FN2O3S — CID 91024745

IUPAC5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H7FN2O3S/c11-7-3-1-2-4-8(7)17(15,16)9-5-6-12-13-10(9)14/h1-6H,(H,13,14)
InChIKeyBXHVCJILJAJIGQ-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.74
Rot. Bonds2

About 5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one

5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one (PubChem CID 91024745) has the molecular formula C10H7FN2O3S and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one
PubChem CID91024745
Molecular FormulaC10H7FN2O3S
Molecular Weight254.24 g/mol
Exact Mass254.02
IUPAC Name5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C10H7FN2O3S/c11-7-3-1-2-4-8(7)17(15,16)9-5-6-12-13-10(9)14/h1-6H,(H,13,14)
InChIKeyBXHVCJILJAJIGQ-UHFFFAOYSA-N
XLogP0.74
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one?
The IUPAC name of 5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one (CID 91024745) is 5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one is O=c1[nH]nccc1S(=O)(=O)c1ccccc1F.
What is the InChIKey of 5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one?
The InChIKey is BXHVCJILJAJIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3S/c11-7-3-1-2-4-8(7)17(15,16)9-5-6-12-13-10(9)14/h1-6H,(H,13,14).
What are the key properties of 5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one?
5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one has a molecular weight of 254.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one is sourced from PubChem (CID 91024745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).