2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one

C11H8Cl2N2O3S — CID 154453250

IUPAC2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one
SMILESO=c1cccnn1S(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2N2O3S/c12-9-3-1-4-10(13)8(9)7-19(17,18)15-11(16)5-2-6-14-15/h1-6H,7H2
InChIKeyAGQPZLMLXZZGGK-UHFFFAOYSA-N
MW319.17 g/mol
LogP1.93
Rot. Bonds3

About 2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one

2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one (PubChem CID 154453250) has the molecular formula C11H8Cl2N2O3S and a molecular weight of 319.17 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one
PubChem CID154453250
Molecular FormulaC11H8Cl2N2O3S
Molecular Weight319.17 g/mol
Exact Mass317.96
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one
SMILESO=c1cccnn1S(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C11H8Cl2N2O3S/c12-9-3-1-4-10(13)8(9)7-19(17,18)15-11(16)5-2-6-14-15/h1-6H,7H2
InChIKeyAGQPZLMLXZZGGK-UHFFFAOYSA-N
XLogP1.93
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one (CID 154453250) is 2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one is O=c1cccnn1S(=O)(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one?
The InChIKey is AGQPZLMLXZZGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O3S/c12-9-3-1-4-10(13)8(9)7-19(17,18)15-11(16)5-2-6-14-15/h1-6H,7H2.
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one?
2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one has a molecular weight of 319.17 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfonyl]pyridazin-3-one is sourced from PubChem (CID 154453250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).