5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one

C10H6BrFN2O3S — CID 91087712

IUPAC5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H6BrFN2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)9-3-4-13-14-10(9)15/h1-5H,(H,14,15)
InChIKeyHQFOHEIPNMWQCX-UHFFFAOYSA-N
MW333.14 g/mol
LogP1.50
Rot. Bonds2

About 5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one

5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one (PubChem CID 91087712) has the molecular formula C10H6BrFN2O3S and a molecular weight of 333.14 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one
PubChem CID91087712
Molecular FormulaC10H6BrFN2O3S
Molecular Weight333.14 g/mol
Exact Mass331.93
IUPAC Name5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one
SMILESO=c1[nH]nccc1S(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C10H6BrFN2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)9-3-4-13-14-10(9)15/h1-5H,(H,14,15)
InChIKeyHQFOHEIPNMWQCX-UHFFFAOYSA-N
XLogP1.50
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one?
The IUPAC name of 5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one (CID 91087712) is 5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one is O=c1[nH]nccc1S(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one?
The InChIKey is HQFOHEIPNMWQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)9-3-4-13-14-10(9)15/h1-5H,(H,14,15).
What are the key properties of 5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one?
5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one has a molecular weight of 333.14 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one is sourced from PubChem (CID 91087712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).