3-benzylsulfonyl-1H-pyridazin-6-one

C11H10N2O3S — CID 23647383

IUPAC3-benzylsulfonyl-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)Cc2ccccc2)n[nH]1
InChIInChI=1S/C11H10N2O3S/c14-10-6-7-11(13-12-10)17(15,16)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)
InChIKeyQUZYPEPCSQAPEU-UHFFFAOYSA-N
MW250.28 g/mol
LogP0.74
Rot. Bonds3

About 3-benzylsulfonyl-1H-pyridazin-6-one

3-benzylsulfonyl-1H-pyridazin-6-one (PubChem CID 23647383) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 3-benzylsulfonyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-benzylsulfonyl-1H-pyridazin-6-one
PubChem CID23647383
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name3-benzylsulfonyl-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)Cc2ccccc2)n[nH]1
InChIInChI=1S/C11H10N2O3S/c14-10-6-7-11(13-12-10)17(15,16)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14)
InChIKeyQUZYPEPCSQAPEU-UHFFFAOYSA-N
XLogP0.74
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Benzenesulfonyl)-2,3-dihydropyridazin-3-one
CID 11701437
6-(3-Trifluoromethyl-benzenesulfonyl)-2H-pyridazin-3-one
CID 9814948
Benzyl-Substituted Sulfonylpyridazinone, 15i
CID 9836039
Phenyl-Substituted Sulfonylpyridazinone, 8v
CID 9836072
Benzyl-Substituted Sulfonylpyridazinone, 15f
CID 9836690
Benzyl-Substituted Sulfonylpyridazinone, 15d
CID 9901538
Benzyl-Substituted Sulfonylpyridazinone, 15k
CID 9902298
Benzyl-Substituted Sulfonylpyridazinone, 15h
CID 9902829
Benzyl-Substituted Sulfonylpyridazinone, 15b
CID 9965222
Benzyl-Substituted Sulfonylpyridazinone, 15c
CID 9966745
Benzyl-Substituted Sulfonylpyridazinone, 15a
CID 11587295
Benzyl-Substituted Sulfonylpyridazinone, 15g
CID 11536536

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-1H-pyridazin-6-one?
The IUPAC name of 3-benzylsulfonyl-1H-pyridazin-6-one (CID 23647383) is 3-benzylsulfonyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-benzylsulfonyl-1H-pyridazin-6-one?
The canonical SMILES for 3-benzylsulfonyl-1H-pyridazin-6-one is O=c1ccc(S(=O)(=O)Cc2ccccc2)n[nH]1.
What is the InChIKey of 3-benzylsulfonyl-1H-pyridazin-6-one?
The InChIKey is QUZYPEPCSQAPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c14-10-6-7-11(13-12-10)17(15,16)8-9-4-2-1-3-5-9/h1-7H,8H2,(H,12,14).
What are the key properties of 3-benzylsulfonyl-1H-pyridazin-6-one?
3-benzylsulfonyl-1H-pyridazin-6-one has a molecular weight of 250.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-1H-pyridazin-6-one is sourced from PubChem (CID 23647383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).