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

C17H15F4NO3S — CID 53089711

IUPAC3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H15F4NO3S/c18-13-7-5-12(6-8-13)11-25-14-9-22(10-14)26(23,24)16-4-2-1-3-15(16)17(19,20)21/h1-8,14H,9-11H2
InChIKeyXULBYFXQEBTVPX-UHFFFAOYSA-N
MW389.37 g/mol
LogP3.43
Rot. Bonds5

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

3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine (PubChem CID 53089711) has the molecular formula C17H15F4NO3S and a molecular weight of 389.37 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine
PubChem CID53089711
Molecular FormulaC17H15F4NO3S
Molecular Weight389.37 g/mol
Exact Mass389.07
IUPAC Name3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C17H15F4NO3S/c18-13-7-5-12(6-8-13)11-25-14-9-22(10-14)26(23,24)16-4-2-1-3-15(16)17(19,20)21/h1-8,14H,9-11H2
InChIKeyXULBYFXQEBTVPX-UHFFFAOYSA-N
XLogP3.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine (CID 53089711) is 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine is O=S(=O)(c1ccccc1C(F)(F)F)N1CC(OCc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine?
The InChIKey is XULBYFXQEBTVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO3S/c18-13-7-5-12(6-8-13)11-25-14-9-22(10-14)26(23,24)16-4-2-1-3-15(16)17(19,20)21/h1-8,14H,9-11H2.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine?
3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine has a molecular weight of 389.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methoxy]-1-[2-(trifluoromethyl)phenyl]sulfonylazetidine is sourced from PubChem (CID 53089711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).