3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one

C11H8F2N2O3S — CID 11536536

IUPAC3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)Cc2cccc(F)c2F)n[nH]1
InChIInChI=1S/C11H8F2N2O3S/c12-8-3-1-2-7(11(8)13)6-19(17,18)10-5-4-9(16)14-15-10/h1-5H,6H2,(H,14,16)
InChIKeyTVPDHDZRJGGVLZ-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.02
Rot. Bonds3

About 3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one

3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one (PubChem CID 11536536) has the molecular formula C11H8F2N2O3S and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one
PubChem CID11536536
Molecular FormulaC11H8F2N2O3S
Molecular Weight286.26 g/mol
Exact Mass286.02
IUPAC Name3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)Cc2cccc(F)c2F)n[nH]1
InChIInChI=1S/C11H8F2N2O3S/c12-8-3-1-2-7(11(8)13)6-19(17,18)10-5-4-9(16)14-15-10/h1-5H,6H2,(H,14,16)
InChIKeyTVPDHDZRJGGVLZ-UHFFFAOYSA-N
XLogP1.02
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-Trifluoromethyl-benzenesulfonyl)-2H-pyridazin-3-one
CID 9814948
Benzyl-Substituted Sulfonylpyridazinone, 15i
CID 9836039
Phenyl-Substituted Sulfonylpyridazinone, 8v
CID 9836072
Phenyl-Substituted Sulfonylpyridazinone, 8g
CID 9856396
Phenyl-Substituted Sulfonylpyridazinone, 8r
CID 9878604
Phenyl-Substituted Sulfonylpyridazinone, 8q
CID 9878605
Benzyl-Substituted Sulfonylpyridazinone, 15d
CID 9901538
Benzyl-Substituted Sulfonylpyridazinone, 15k
CID 9902298
Benzyl-Substituted Sulfonylpyridazinone, 15h
CID 9902829
6-(2-Fluoro-benzenesulfonyl)-2H-pyridazin-3-one
CID 9943009
Benzyl-Substituted Sulfonylpyridazinone, 15b
CID 9965222
Benzyl-Substituted Sulfonylpyridazinone, 15c
CID 9966745

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one (CID 11536536) is 3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one is O=c1ccc(S(=O)(=O)Cc2cccc(F)c2F)n[nH]1.
What is the InChIKey of 3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
The InChIKey is TVPDHDZRJGGVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O3S/c12-8-3-1-2-7(11(8)13)6-19(17,18)10-5-4-9(16)14-15-10/h1-5H,6H2,(H,14,16).
What are the key properties of 3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one has a molecular weight of 286.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-difluorophenyl)methylsulfonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 11536536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).