3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one

C15H15FN4O4S — CID 9270121

IUPAC3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H15FN4O4S/c16-11-2-1-3-12(10-11)25(23,24)20-8-6-19(7-9-20)15(22)13-4-5-14(21)18-17-13/h1-5,10H,6-9H2,(H,18,21)
InChIKeyDDZIIOOASSWAQI-UHFFFAOYSA-N
MW366.37 g/mol
LogP0.06
Rot. Bonds3

About 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 9270121) has the molecular formula C15H15FN4O4S and a molecular weight of 366.37 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID9270121
Molecular FormulaC15H15FN4O4S
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC Name3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H15FN4O4S/c16-11-2-1-3-12(10-11)25(23,24)20-8-6-19(7-9-20)15(22)13-4-5-14(21)18-17-13/h1-5,10H,6-9H2,(H,18,21)
InChIKeyDDZIIOOASSWAQI-UHFFFAOYSA-N
XLogP0.06
TPSA103.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one (CID 9270121) is 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is DDZIIOOASSWAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O4S/c16-11-2-1-3-12(10-11)25(23,24)20-8-6-19(7-9-20)15(22)13-4-5-14(21)18-17-13/h1-5,10H,6-9H2,(H,18,21).
What are the key properties of 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 366.37 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 9270121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).