6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine

C11H16ClN3O4S — CID 146636294

IUPAC6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine
SMILESCOc1cc(Cl)nnc1OC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H16ClN3O4S/c1-18-9-7-10(12)13-14-11(9)19-8-3-5-15(6-4-8)20(2,16)17/h7-8H,3-6H2,1-2H3
InChIKeyUJMFVPAIJFBXNG-UHFFFAOYSA-N
MW321.79 g/mol
LogP0.94
Rot. Bonds4

About 6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine

6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine (PubChem CID 146636294) has the molecular formula C11H16ClN3O4S and a molecular weight of 321.79 g/mol. Its IUPAC name is 6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine.

Molecular Properties

Compound Name6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine
PubChem CID146636294
Molecular FormulaC11H16ClN3O4S
Molecular Weight321.79 g/mol
Exact Mass321.06
IUPAC Name6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine
SMILESCOc1cc(Cl)nnc1OC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H16ClN3O4S/c1-18-9-7-10(12)13-14-11(9)19-8-3-5-15(6-4-8)20(2,16)17/h7-8H,3-6H2,1-2H3
InChIKeyUJMFVPAIJFBXNG-UHFFFAOYSA-N
XLogP0.94
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 90410534
6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-8-(1-methylsulfonylpiperidin-4-yl)oxyquinazoline
CID 176913009
3-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 145496921
4-(1-cyclopropylsulfonylpiperidin-4-yl)oxy-5-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
CID 46701353
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
4-methyl-6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidine
CID 90245774
N-(2-methoxyphenyl)-1-methylsulfonylpiperidin-4-amine
CID 4270050
2-methoxy-4-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
CID 63669829
4-chloro-1-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,2-diamine
CID 43628743
2-(3-aminoprop-2-enyl)-4-N-[5-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-2-yl]-1-N-[2-(dimethylamino)ethyl]-5-methoxy-1-N-methylbenzene-1,4-diamine
CID 151369321
[3-chloro-4-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]-piperidin-1-ylmethanone
CID 72870356
4-methoxy-N-(2-methoxyethyl)-2-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 72866282

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine?
The IUPAC name of 6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine (CID 146636294) is 6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine.
What is the SMILES notation for 6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine?
The canonical SMILES for 6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine is COc1cc(Cl)nnc1OC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine?
The InChIKey is UJMFVPAIJFBXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O4S/c1-18-9-7-10(12)13-14-11(9)19-8-3-5-15(6-4-8)20(2,16)17/h7-8H,3-6H2,1-2H3.
What are the key properties of 6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine?
6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine has a molecular weight of 321.79 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methoxy-3-(1-methylsulfonylpiperidin-4-yl)oxypyridazine is sourced from PubChem (CID 146636294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).