3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine

C21H21N3O3S — CID 90638978

IUPAC3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nn1
InChIInChI=1S/C21H21N3O3S/c1-16-7-12-21(23-22-16)27-19-13-14-24(15-19)28(25,26)20-10-8-18(9-11-20)17-5-3-2-4-6-17/h2-12,19H,13-15H2,1H3
InChIKeyXGTCJFBXZIOCJD-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.29
Rot. Bonds5

About 3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine

3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine (PubChem CID 90638978) has the molecular formula C21H21N3O3S and a molecular weight of 395.48 g/mol. Its IUPAC name is 3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine.

Molecular Properties

Compound Name3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
PubChem CID90638978
Molecular FormulaC21H21N3O3S
Molecular Weight395.48 g/mol
Exact Mass395.13
IUPAC Name3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
SMILESCc1ccc(OC2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nn1
InChIInChI=1S/C21H21N3O3S/c1-16-7-12-21(23-22-16)27-19-13-14-24(15-19)28(25,26)20-10-8-18(9-11-20)17-5-3-2-4-6-17/h2-12,19H,13-15H2,1H3
InChIKeyXGTCJFBXZIOCJD-UHFFFAOYSA-N
XLogP3.29
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylbenzonitrile
CID 100630089
3-[1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridazine
CID 90638929
3-methyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629708
3-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-6-methylpyridazine
CID 91627439
3-methyl-6-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638915
3-methyl-6-[(3S)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100629815
5-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100630109
3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627446
3,5-dimethyl-4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 100629745
1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 90639397
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 90638724
8-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylquinoline
CID 91627435

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The IUPAC name of 3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine (CID 90638978) is 3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine.
What is the SMILES notation for 3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The canonical SMILES for 3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine is Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)C2)nn1.
What is the InChIKey of 3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
The InChIKey is XGTCJFBXZIOCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S/c1-16-7-12-21(23-22-16)27-19-13-14-24(15-19)28(25,26)20-10-8-18(9-11-20)17-5-3-2-4-6-17/h2-12,19H,13-15H2,1H3.
What are the key properties of 3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine?
3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine has a molecular weight of 395.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine is sourced from PubChem (CID 90638978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).