3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine

C18H20FNO4S — CID 53089890

IUPAC3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
SMILESCOc1ccc(COC2CN(S(=O)(=O)c3ccc(C)cc3)C2)cc1F
InChIInChI=1S/C18H20FNO4S/c1-13-3-6-16(7-4-13)25(21,22)20-10-15(11-20)24-12-14-5-8-18(23-2)17(19)9-14/h3-9,15H,10-12H2,1-2H3
InChIKeyFGEUEYIZAHPUKU-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.73
Rot. Bonds6

About 3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine

3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine (PubChem CID 53089890) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
PubChem CID53089890
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
SMILESCOc1ccc(COC2CN(S(=O)(=O)c3ccc(C)cc3)C2)cc1F
InChIInChI=1S/C18H20FNO4S/c1-13-3-6-16(7-4-13)25(21,22)20-10-15(11-20)24-12-14-5-8-18(23-2)17(19)9-14/h3-9,15H,10-12H2,1-2H3
InChIKeyFGEUEYIZAHPUKU-UHFFFAOYSA-N
XLogP2.73
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
CID 46354311
3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine
CID 46029113
[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone
CID 53089696
3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine
CID 53089776
1-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 53089691
(3-fluoro-4-methoxyphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2630914
4-[(3-fluoro-4-methoxyphenyl)methoxy]piperidine
CID 43167840
2-[(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxyacetic acid
CID 166263448
1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593207
1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
CID 53089852
(3-chlorophenyl)-[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]methanone
CID 53034757
3-fluoro-4-methoxy-N-[3-(4-methylphenyl)propyl]benzenesulfonamide
CID 92680028

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine (CID 53089890) is 3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine is COc1ccc(COC2CN(S(=O)(=O)c3ccc(C)cc3)C2)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine?
The InChIKey is FGEUEYIZAHPUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-13-3-6-16(7-4-13)25(21,22)20-10-15(11-20)24-12-14-5-8-18(23-2)17(19)9-14/h3-9,15H,10-12H2,1-2H3.
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine?
3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine has a molecular weight of 365.43 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine is sourced from PubChem (CID 53089890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).