6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one

C10H6BrFN2O3S — CID 9967430

IUPAC3-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one
SMILESC1=CC(=C(C=C1Br)F)S(=O)(=O)C2=NNC(=O)C=C2
InChIInChI=1S/C10H6BrFN2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)
InChIKeyAOSBVSOJGVLBCE-UHFFFAOYSA-N
MW333.14 g/mol
LogP1.30
Rot. Bonds2

About 6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one

6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one (PubChem CID 9967430) has the molecular formula C10H6BrFN2O3S and a molecular weight of 333.14 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one
PubChem CID9967430
Molecular FormulaC10H6BrFN2O3S
Molecular Weight333.14 g/mol
Exact Mass331.93
IUPAC Name3-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one
SMILESC1=CC(=C(C=C1Br)F)S(=O)(=O)C2=NNC(=O)C=C2
InChIInChI=1S/C10H6BrFN2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15)
InChIKeyAOSBVSOJGVLBCE-UHFFFAOYSA-N
XLogP1.30
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity512

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.14
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Benzenesulfonyl)-2,3-dihydropyridazin-3-one
CID 11701437
Phenyl-Substituted Sulfonylpyridazinone, 8g
CID 9856396
Phenyl-Substituted Sulfonylpyridazinone, 8r
CID 9878604
Phenyl-Substituted Sulfonylpyridazinone, 8q
CID 9878605
Phenyl-Substituted Sulfonylpyridazinone, 8a
CID 9901432
6-(2-Fluoro-benzenesulfonyl)-2H-pyridazin-3-one
CID 9943009
6-(4-Bromobenzenesulfonyl)-2,3-dihydropyridazin-3-one
CID 11674065
3-(2-bromo-4-fluorophenyl)sulfonyl-1H-pyridazin-6-one
CID 9858835
3-(3-fluorophenyl)sulfonyl-1H-pyridazin-6-one
CID 33733509
5-(2-fluorophenyl)sulfonyl-1H-pyridazin-6-one
CID 91024745
5-(2-bromo-4-fluorophenyl)sulfonyl-1H-pyridazin-6-one
CID 91083294
5-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one
CID 91087712

Frequently Asked Questions

What is the IUPAC name of 6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one?
The IUPAC name of 6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one (CID 9967430) is 3-(4-bromo-2-fluorophenyl)sulfonyl-1H-pyridazin-6-one.
What is the SMILES notation for 6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one?
The canonical SMILES for 6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one is C1=CC(=C(C=C1Br)F)S(=O)(=O)C2=NNC(=O)C=C2.
What is the InChIKey of 6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one?
The InChIKey is AOSBVSOJGVLBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrFN2O3S/c11-6-1-2-8(7(12)5-6)18(16,17)10-4-3-9(15)13-14-10/h1-5H,(H,13,15).
What are the key properties of 6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one?
6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one has a molecular weight of 333.14 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-Bromo-2-fluoro-benzenesulfonyl)-2H-pyridazin-3-one is sourced from PubChem (CID 9967430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).