3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine

C16H15F2NO3S — CID 53008550

IUPAC3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1cccc(F)c1)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C16H15F2NO3S/c17-13-4-1-3-12(7-13)11-22-15-9-19(10-15)23(20,21)16-6-2-5-14(18)8-16/h1-8,15H,9-11H2
InChIKeyXSAKJYXUNOZFBJ-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.55
Rot. Bonds5

About 3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine

3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine (PubChem CID 53008550) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine
PubChem CID53008550
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine
SMILESO=S(=O)(c1cccc(F)c1)N1CC(OCc2cccc(F)c2)C1
InChIInChI=1S/C16H15F2NO3S/c17-13-4-1-3-12(7-13)11-22-15-9-19(10-15)23(20,21)16-6-2-5-14(18)8-16/h1-8,15H,9-11H2
InChIKeyXSAKJYXUNOZFBJ-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine?
The IUPAC name of 3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine (CID 53008550) is 3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine?
The canonical SMILES for 3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine is O=S(=O)(c1cccc(F)c1)N1CC(OCc2cccc(F)c2)C1.
What is the InChIKey of 3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine?
The InChIKey is XSAKJYXUNOZFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c17-13-4-1-3-12(7-13)11-22-15-9-19(10-15)23(20,21)16-6-2-5-14(18)8-16/h1-8,15H,9-11H2.
What are the key properties of 3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine?
3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine has a molecular weight of 339.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methoxy]-1-(3-fluorophenyl)sulfonylazetidine is sourced from PubChem (CID 53008550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).