3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine

C14H18FNO3S — CID 121183207

IUPAC3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CN(C2CCOCC2)C1
InChIInChI=1S/C14H18FNO3S/c15-11-1-3-13(4-2-11)20(17,18)14-9-16(10-14)12-5-7-19-8-6-12/h1-4,12,14H,5-10H2
InChIKeyXDTOMVWUUGRWSX-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.46
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine

3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine (PubChem CID 121183207) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine
PubChem CID121183207
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Name3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine
SMILESO=S(=O)(c1ccc(F)cc1)C1CN(C2CCOCC2)C1
InChIInChI=1S/C14H18FNO3S/c15-11-1-3-13(4-2-11)20(17,18)14-9-16(10-14)12-5-7-19-8-6-12/h1-4,12,14H,5-10H2
InChIKeyXDTOMVWUUGRWSX-UHFFFAOYSA-N
XLogP1.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-fluorophenyl)sulfonylcyclohexyl]-1,4-thiazinane 1,1-dioxide
CID 144881858
4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109566
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
3-(4-fluorophenyl)sulfonylcyclopentan-1-amine
CID 64724253
4-[4-(bromomethyl)phenyl]sulfonyloxane
CID 69403919
2,2,3,3,4,4,4-heptafluoro-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]butan-1-one
CID 90593088
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-(furan-3-yl)methanone
CID 71809262
4-(4-fluorophenyl)sulfonyl-1-(2-methylpropyl)piperidine
CID 174897155
N-ethyl-3-(4-fluorophenyl)sulfonyloxan-4-amine
CID 64639620
2-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90593100
1-(2,6-dichlorophenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593256

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine (CID 121183207) is 3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine is O=S(=O)(c1ccc(F)cc1)C1CN(C2CCOCC2)C1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine?
The InChIKey is XDTOMVWUUGRWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c15-11-1-3-13(4-2-11)20(17,18)14-9-16(10-14)12-5-7-19-8-6-12/h1-4,12,14H,5-10H2.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine?
3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine has a molecular weight of 299.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-1-(oxan-4-yl)azetidine is sourced from PubChem (CID 121183207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).