4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine

C13H18FNO3S — CID 43047607

IUPAC4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C13H18FNO3S/c1-9-6-12(14)4-5-13(9)19(16,17)15-7-10(2)18-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3
InChIKeyVXBUBCSMXWOYRJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.93
Rot. Bonds2

About 4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine

4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 43047607) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID43047607
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C13H18FNO3S/c1-9-6-12(14)4-5-13(9)19(16,17)15-7-10(2)18-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3
InChIKeyVXBUBCSMXWOYRJ-UHFFFAOYSA-N
XLogP1.93
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 43047607) is 4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine is Cc1cc(F)ccc1S(=O)(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is VXBUBCSMXWOYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-9-6-12(14)4-5-13(9)19(16,17)15-7-10(2)18-11(3)8-15/h4-6,10-11H,7-8H2,1-3H3.
What are the key properties of 4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 287.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 43047607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).