3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one

C11H8ClFN2O3S — CID 11716421

IUPAC3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)Cc2cccc(Cl)c2F)n[nH]1
InChIInChI=1S/C11H8ClFN2O3S/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)
InChIKeySUPFWUJUZJBSEY-UHFFFAOYSA-N
MW302.71 g/mol
LogP1.54
Rot. Bonds3

About 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one

3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one (PubChem CID 11716421) has the molecular formula C11H8ClFN2O3S and a molecular weight of 302.71 g/mol. Its IUPAC name is 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one
PubChem CID11716421
Molecular FormulaC11H8ClFN2O3S
Molecular Weight302.71 g/mol
Exact Mass301.99
IUPAC Name3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one
SMILESO=c1ccc(S(=O)(=O)Cc2cccc(Cl)c2F)n[nH]1
InChIInChI=1S/C11H8ClFN2O3S/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)
InChIKeySUPFWUJUZJBSEY-UHFFFAOYSA-N
XLogP1.54
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl-Substituted Sulfonylpyridazinone, 15i
CID 9836039
Benzyl-Substituted Sulfonylpyridazinone, 15f
CID 9836690
Benzyl-Substituted Sulfonylpyridazinone, 15d
CID 9901538
Benzyl-Substituted Sulfonylpyridazinone, 15k
CID 9902298
Benzyl-Substituted Sulfonylpyridazinone, 15b
CID 9965222
Benzyl-Substituted Sulfonylpyridazinone, 15e
CID 9966787
Benzyl-Substituted Sulfonylpyridazinone, 15a
CID 11587295
Benzyl-Substituted Sulfonylpyridazinone, 15g
CID 11536536
E2RC5V5Tta
CID 23647383
3-[(2,4,6-trifluorophenyl)methylsulfonyl]-1H-pyridazin-6-one
CID 9814949
3-[(4-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one
CID 9922456
3-[(2,3,4-trifluorophenyl)methylsulfonyl]-1H-pyridazin-6-one
CID 9922483

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one (CID 11716421) is 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one is O=c1ccc(S(=O)(=O)Cc2cccc(Cl)c2F)n[nH]1.
What is the InChIKey of 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
The InChIKey is SUPFWUJUZJBSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN2O3S/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-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one?
3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one has a molecular weight of 302.71 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chloro-2-fluorophenyl)methylsulfonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 11716421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).