3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine

C17H18FNO3S — CID 46354311

IUPAC3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
SMILESCc1ccc(S(=O)(=O)N2CC(OCc3ccccc3F)C2)cc1
InChIInChI=1S/C17H18FNO3S/c1-13-6-8-16(9-7-13)23(20,21)19-10-15(11-19)22-12-14-4-2-3-5-17(14)18/h2-9,15H,10-12H2,1H3
InChIKeyYMQXGYZSSAGWFG-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.72
Rot. Bonds5

About 3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine

3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine (PubChem CID 46354311) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
PubChem CID46354311
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC Name3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
SMILESCc1ccc(S(=O)(=O)N2CC(OCc3ccccc3F)C2)cc1
InChIInChI=1S/C17H18FNO3S/c1-13-6-8-16(9-7-13)23(20,21)19-10-15(11-19)22-12-14-4-2-3-5-17(14)18/h2-9,15H,10-12H2,1H3
InChIKeyYMQXGYZSSAGWFG-UHFFFAOYSA-N
XLogP2.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
CID 53089890
3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine
CID 46029113
N-(2-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-4-amine
CID 3977208
3-[(4-chlorophenyl)methoxy]-1-(3,5-dimethylphenyl)sulfonylazetidine
CID 53089776
1-(3-chloro-2-methylphenyl)sulfonyl-3-[(2-chlorophenyl)methoxy]azetidine
CID 46354306
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
5-ethoxy-3,3-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 135054158
3,5-dimethyl-1-(4-methylphenyl)sulfonylpiperidine
CID 3769436
1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
CID 53089852
N-[(2-fluorophenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide
CID 42000751
4-(2-fluorophenyl)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 13094250
5-[2-[3-[(2-fluorophenyl)methoxy]azetidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136988459

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine (CID 46354311) is 3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine is Cc1ccc(S(=O)(=O)N2CC(OCc3ccccc3F)C2)cc1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine?
The InChIKey is YMQXGYZSSAGWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-13-6-8-16(9-7-13)23(20,21)19-10-15(11-19)22-12-14-4-2-3-5-17(14)18/h2-9,15H,10-12H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine?
3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine has a molecular weight of 335.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine is sourced from PubChem (CID 46354311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).