4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine

C12H16FNO5S — CID 5301737

IUPAC4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(F)c(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C12H16FNO5S/c1-17-10-7-9(13)12(8-11(10)18-2)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyZPCVOHKSWDFQGG-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.86
Rot. Bonds4

About 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine

4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine (PubChem CID 5301737) has the molecular formula C12H16FNO5S and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine
PubChem CID5301737
Molecular FormulaC12H16FNO5S
Molecular Weight305.33 g/mol
Exact Mass305.07
IUPAC Name4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine
SMILESCOc1cc(F)c(S(=O)(=O)N2CCOCC2)cc1OC
InChIInChI=1S/C12H16FNO5S/c1-17-10-7-9(13)12(8-11(10)18-2)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyZPCVOHKSWDFQGG-UHFFFAOYSA-N
XLogP0.86
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine (CID 5301737) is 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine is COc1cc(F)c(S(=O)(=O)N2CCOCC2)cc1OC.
What is the InChIKey of 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine?
The InChIKey is ZPCVOHKSWDFQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5S/c1-17-10-7-9(13)12(8-11(10)18-2)20(15,16)14-3-5-19-6-4-14/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine?
4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine has a molecular weight of 305.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4,5-dimethoxyphenyl)sulfonylmorpholine is sourced from PubChem (CID 5301737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).