4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine

C12H16FNO4S — CID 934719

IUPAC4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine
SMILESCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C12H16FNO4S/c1-2-18-12-9-10(3-4-11(12)13)19(15,16)14-5-7-17-8-6-14/h3-4,9H,2,5-8H2,1H3
InChIKeyQVJKFHOQXHAJLC-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.25
Rot. Bonds4

About 4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine

4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine (PubChem CID 934719) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine
PubChem CID934719
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine
SMILESCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C12H16FNO4S/c1-2-18-12-9-10(3-4-11(12)13)19(15,16)14-5-7-17-8-6-14/h3-4,9H,2,5-8H2,1H3
InChIKeyQVJKFHOQXHAJLC-UHFFFAOYSA-N
XLogP1.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine (CID 934719) is 4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine is CCOc1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of 4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine?
The InChIKey is QVJKFHOQXHAJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-2-18-12-9-10(3-4-11(12)13)19(15,16)14-5-7-17-8-6-14/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine?
4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine has a molecular weight of 289.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxy-4-fluorophenyl)sulfonylmorpholine is sourced from PubChem (CID 934719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).