4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine

C12H14F3NO3S — CID 59272500

IUPAC4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine
SMILESCc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C12H14F3NO3S/c1-9-6-10(12(13,14)15)8-11(7-9)20(17,18)16-2-4-19-5-3-16/h6-8H,2-5H2,1H3
InChIKeyWMYHZMVEWADAOH-UHFFFAOYSA-N
MW309.31 g/mol
LogP2.03
Rot. Bonds2

About 4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine

4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine (PubChem CID 59272500) has the molecular formula C12H14F3NO3S and a molecular weight of 309.31 g/mol. Its IUPAC name is 4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine
PubChem CID59272500
Molecular FormulaC12H14F3NO3S
Molecular Weight309.31 g/mol
Exact Mass309.06
IUPAC Name4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine
SMILESCc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C12H14F3NO3S/c1-9-6-10(12(13,14)15)8-11(7-9)20(17,18)16-2-4-19-5-3-16/h6-8H,2-5H2,1H3
InChIKeyWMYHZMVEWADAOH-UHFFFAOYSA-N
XLogP2.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.31
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine (CID 59272500) is 4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine is Cc1cc(C(F)(F)F)cc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine?
The InChIKey is WMYHZMVEWADAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3S/c1-9-6-10(12(13,14)15)8-11(7-9)20(17,18)16-2-4-19-5-3-16/h6-8H,2-5H2,1H3.
What are the key properties of 4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine?
4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine has a molecular weight of 309.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methyl-5-(trifluoromethyl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 59272500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).