N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide

C13H15F3N2O4S — CID 69241378

IUPACN-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)COC(=O)N1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O4S/c1-12(2)8-22-11(19)18(12)7-9-5-3-4-6-10(9)17-23(20,21)13(14,15)16/h3-6,17H,7-8H2,1-2H3
InChIKeyQIXOBBKJASPVCZ-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.68
Rot. Bonds4

About N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 69241378) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID69241378
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC NameN-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCC1(C)COC(=O)N1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O4S/c1-12(2)8-22-11(19)18(12)7-9-5-3-4-6-10(9)17-23(20,21)13(14,15)16/h3-6,17H,7-8H2,1-2H3
InChIKeyQIXOBBKJASPVCZ-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 69241378) is N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is CC1(C)COC(=O)N1Cc1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is QIXOBBKJASPVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c1-12(2)8-22-11(19)18(12)7-9-5-3-4-6-10(9)17-23(20,21)13(14,15)16/h3-6,17H,7-8H2,1-2H3.
What are the key properties of N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide has a molecular weight of 352.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 69241378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).