3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one

C13H16FNO4S — CID 588543

IUPAC3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C13H16FNO4S/c14-11-1-3-12(4-2-11)20(17,18)10-5-13(16)15-6-8-19-9-7-15/h1-4H,5-10H2
InChIKeyZJUGARZWGIPQPY-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.85
Rot. Bonds4

About 3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one

3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one (PubChem CID 588543) has the molecular formula C13H16FNO4S and a molecular weight of 301.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
PubChem CID588543
Molecular FormulaC13H16FNO4S
Molecular Weight301.34 g/mol
Exact Mass301.08
IUPAC Name3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C13H16FNO4S/c14-11-1-3-12(4-2-11)20(17,18)10-5-13(16)15-6-8-19-9-7-15/h1-4H,5-10H2
InChIKeyZJUGARZWGIPQPY-UHFFFAOYSA-N
XLogP0.85
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one (CID 588543) is 3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one is O=C(CCS(=O)(=O)c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is ZJUGARZWGIPQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4S/c14-11-1-3-12(4-2-11)20(17,18)10-5-13(16)15-6-8-19-9-7-15/h1-4H,5-10H2.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one?
3-(4-fluorophenyl)sulfonyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 301.34 g/mol, XLogP of 0.85, 4 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-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 588543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).