1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine

C18H20FNO4S — CID 53089852

IUPAC1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
SMILESCCOc1ccc(S(=O)(=O)N2CC(OCc3cccc(F)c3)C2)cc1
InChIInChI=1S/C18H20FNO4S/c1-2-23-16-6-8-18(9-7-16)25(21,22)20-11-17(12-20)24-13-14-4-3-5-15(19)10-14/h3-10,17H,2,11-13H2,1H3
InChIKeyQSIVBNKDPDXYBU-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.81
Rot. Bonds7

About 1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine

1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine (PubChem CID 53089852) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
PubChem CID53089852
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
SMILESCCOc1ccc(S(=O)(=O)N2CC(OCc3cccc(F)c3)C2)cc1
InChIInChI=1S/C18H20FNO4S/c1-2-23-16-6-8-18(9-7-16)25(21,22)20-11-17(12-20)24-13-14-4-3-5-15(19)10-14/h3-10,17H,2,11-13H2,1H3
InChIKeyQSIVBNKDPDXYBU-UHFFFAOYSA-N
XLogP2.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 17338187
1-(2,4-difluorophenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine
CID 53008553
1-(4-ethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106672603
4-[1-(4-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155734
3-[(3-fluoro-4-methoxyphenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
CID 53089890
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidine-3-thiol
CID 88954947
[(3S,4S)-1-(4-ethoxyphenyl)sulfonyl-4-methylpyrrolidin-3-yl]methanol
CID 129003855
4-ethoxy-N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22772225
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
3-[(2-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylazetidine
CID 46354311
4-(4-fluorophenyl)sulfonyl-6-phenylmethoxy-1,4-oxazepane
CID 162795674

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine?
The IUPAC name of 1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine (CID 53089852) is 1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine.
What is the SMILES notation for 1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine?
The canonical SMILES for 1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine is CCOc1ccc(S(=O)(=O)N2CC(OCc3cccc(F)c3)C2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine?
The InChIKey is QSIVBNKDPDXYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-2-23-16-6-8-18(9-7-16)25(21,22)20-11-17(12-20)24-13-14-4-3-5-15(19)10-14/h3-10,17H,2,11-13H2,1H3.
What are the key properties of 1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine?
1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine has a molecular weight of 365.43 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)sulfonyl-3-[(3-fluorophenyl)methoxy]azetidine is sourced from PubChem (CID 53089852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).