4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine

C12H16FNO3S — CID 2938759

IUPAC4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2cccc(F)c2)CC(C)O1
InChIInChI=1S/C12H16FNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-4-11(13)6-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyOWOYNDHLKVEMCK-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.62
Rot. Bonds2

About 4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine

4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2938759) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2938759
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2cccc(F)c2)CC(C)O1
InChIInChI=1S/C12H16FNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-4-11(13)6-12/h3-6,9-10H,7-8H2,1-2H3
InChIKeyOWOYNDHLKVEMCK-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

Analyze 4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine (CID 2938759) is 4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2cccc(F)c2)CC(C)O1.
What is the InChIKey of 4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is OWOYNDHLKVEMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9-7-14(8-10(2)17-9)18(15,16)12-5-3-4-11(13)6-12/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine?
4-(3-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-(3-fluorophenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2938759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).