4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine

C12H16FNO3S — CID 3113469

IUPAC4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C12H16FNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHXWSPSPZSDFNPB-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.62
Rot. Bonds2

About 4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine

4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 3113469) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID3113469
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2ccc(F)cc2)CC(C)O1
InChIInChI=1S/C12H16FNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyHXWSPSPZSDFNPB-UHFFFAOYSA-N
XLogP1.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine (CID 3113469) is 4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2ccc(F)cc2)CC(C)O1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is HXWSPSPZSDFNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 273.33 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 3113469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).