3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine

C19H22FNO3S — CID 46354285

IUPAC3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine
SMILESCc1cc(C)c(S(=O)(=O)N2CC(OCc3ccc(F)cc3)C2)c(C)c1
InChIInChI=1S/C19H22FNO3S/c1-13-8-14(2)19(15(3)9-13)25(22,23)21-10-18(11-21)24-12-16-4-6-17(20)7-5-16/h4-9,18H,10-12H2,1-3H3
InChIKeyLOKOQDYQYBGEQI-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.34
Rot. Bonds5

About 3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine

3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine (PubChem CID 46354285) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine
PubChem CID46354285
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine
SMILESCc1cc(C)c(S(=O)(=O)N2CC(OCc3ccc(F)cc3)C2)c(C)c1
InChIInChI=1S/C19H22FNO3S/c1-13-8-14(2)19(15(3)9-13)25(22,23)21-10-18(11-21)24-12-16-4-6-17(20)7-5-16/h4-9,18H,10-12H2,1-3H3
InChIKeyLOKOQDYQYBGEQI-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.34
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-(2,4,6-trimethylphenyl)sulfonylazetidine?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine (CID 46354285) is 3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine is Cc1cc(C)c(S(=O)(=O)N2CC(OCc3ccc(F)cc3)C2)c(C)c1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine?
The InChIKey is LOKOQDYQYBGEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-13-8-14(2)19(15(3)9-13)25(22,23)21-10-18(11-21)24-12-16-4-6-17(20)7-5-16/h4-9,18H,10-12H2,1-3H3.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine?
3-[(4-fluorophenyl)methoxy]-1-(2,4,6-trimethylphenyl)sulfonylazetidine has a molecular weight of 363.45 g/mol, XLogP of 3.34, 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-(2,4,6-trimethylphenyl)sulfonylazetidine is sourced from PubChem (CID 46354285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).