1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone

C17H19N3O5S — CID 90639397

IUPAC1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
SMILESCOc1ccc(OC2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)nn1
InChIInChI=1S/C17H19N3O5S/c1-12(21)13-3-5-15(6-4-13)26(22,23)20-10-9-14(11-20)25-17-8-7-16(24-2)18-19-17/h3-8,14H,9-11H2,1-2H3
InChIKeyMHGBIXWMKPUAFZ-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.53
Rot. Bonds6

About 1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone

1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 90639397) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
PubChem CID90639397
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
SMILESCOc1ccc(OC2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)nn1
InChIInChI=1S/C17H19N3O5S/c1-12(21)13-3-5-15(6-4-13)26(22,23)20-10-9-14(11-20)25-17-8-7-16(24-2)18-19-17/h3-8,14H,9-11H2,1-2H3
InChIKeyMHGBIXWMKPUAFZ-UHFFFAOYSA-N
XLogP1.53
TPSA98.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-quinoxalin-2-yloxypyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 126850668
1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122261669
3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 90639393
3-[(3S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 100633882
1-[4-(4-pyrimidin-4-yloxypiperidin-1-yl)sulfonylphenyl]ethanone
CID 121162251
1-[4-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122260596
3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638978
1-[4-[3-[(5-chloro-2-pyridinyl)oxy]azetidin-1-yl]sulfonylphenyl]ethanone
CID 122248570
4-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100630089
methyl 4-[3-(1,2,5-thiadiazol-3-yloxy)pyrrolidin-1-yl]sulfonylbenzoate
CID 126853881
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90639359

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone (CID 90639397) is 1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone is COc1ccc(OC2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)C2)nn1.
What is the InChIKey of 1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is MHGBIXWMKPUAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-12(21)13-3-5-15(6-4-13)26(22,23)20-10-9-14(11-20)25-17-8-7-16(24-2)18-19-17/h3-8,14H,9-11H2,1-2H3.
What are the key properties of 1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone?
1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 377.42 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 90639397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).