1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide

C13H15F3N2O4S — CID 66709456

IUPAC1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide
SMILESCC1OCCN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C1=O
InChIInChI=1S/C13H15F3N2O4S/c1-9-12(19)18(6-7-22-9)8-10-4-2-3-5-11(10)17-23(20,21)13(14,15)16/h2-5,9,17H,6-8H2,1H3
InChIKeyYYEAWFBNTNGFBR-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.70
Rot. Bonds4

About 1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide

1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide (PubChem CID 66709456) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide
PubChem CID66709456
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Name1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide
SMILESCC1OCCN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C1=O
InChIInChI=1S/C13H15F3N2O4S/c1-9-12(19)18(6-7-22-9)8-10-4-2-3-5-11(10)17-23(20,21)13(14,15)16/h2-5,9,17H,6-8H2,1H3
InChIKeyYYEAWFBNTNGFBR-UHFFFAOYSA-N
XLogP1.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide (CID 66709456) is 1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide is CC1OCCN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C1=O.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide?
The InChIKey is YYEAWFBNTNGFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c1-9-12(19)18(6-7-22-9)8-10-4-2-3-5-11(10)17-23(20,21)13(14,15)16/h2-5,9,17H,6-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide has a molecular weight of 352.33 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-[(2-methyl-3-oxomorpholin-4-yl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 66709456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).