3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine

C12H11FN2O3S — CID 114268883

IUPAC3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine
SMILESCOc1ccc(CS(=O)(=O)c2ccccc2F)nn1
InChIInChI=1S/C12H11FN2O3S/c1-18-12-7-6-9(14-15-12)8-19(16,17)11-5-3-2-4-10(11)13/h2-7H,8H2,1H3
InChIKeyYLIABDOHCJBUNV-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.60
Rot. Bonds4

About 3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine

3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine (PubChem CID 114268883) has the molecular formula C12H11FN2O3S and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine
PubChem CID114268883
Molecular FormulaC12H11FN2O3S
Molecular Weight282.30 g/mol
Exact Mass282.05
IUPAC Name3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine
SMILESCOc1ccc(CS(=O)(=O)c2ccccc2F)nn1
InChIInChI=1S/C12H11FN2O3S/c1-18-12-7-6-9(14-15-12)8-19(16,17)11-5-3-2-4-10(11)13/h2-7H,8H2,1H3
InChIKeyYLIABDOHCJBUNV-UHFFFAOYSA-N
XLogP1.60
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine
CID 114268884
2-[(6-methoxy-2-pyridinyl)methylsulfonyl]-6-methylaniline
CID 81188835
1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone
CID 75527706
4-fluoro-1-[(2-fluorophenyl)sulfonylmethyl]-2-methylbenzene
CID 114349484
3-fluoro-5-[(2-fluorophenyl)sulfonylmethyl]aniline
CID 112648307
2-(2-fluorophenyl)sulfonyl-1-(4-methoxyphenyl)ethanamine
CID 64639033
N-ethyl-2-[2-(2-fluorophenyl)sulfonylethyl]cyclopentan-1-amine
CID 79581109
2-fluorobenzenesulfonyl iodide
CID 23452806
2-[(2-fluoro-4-methoxyphenyl)methylsulfonyl]aniline
CID 102878450
1-bromo-2,4-difluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzene
CID 106272385
2-bromo-5-[(2-fluorophenyl)sulfonylmethyl]thiophene
CID 47457030
2-(6-methoxypyridazin-3-yl)ethanethioamide
CID 130505695

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine?
The IUPAC name of 3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine (CID 114268883) is 3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine.
What is the SMILES notation for 3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine?
The canonical SMILES for 3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine is COc1ccc(CS(=O)(=O)c2ccccc2F)nn1.
What is the InChIKey of 3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine?
The InChIKey is YLIABDOHCJBUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O3S/c1-18-12-7-6-9(14-15-12)8-19(16,17)11-5-3-2-4-10(11)13/h2-7H,8H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine?
3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine has a molecular weight of 282.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)sulfonylmethyl]-6-methoxypyridazine is sourced from PubChem (CID 114268883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).