N-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide

C13H15F3N2O4S — CID 50943396

IUPACN-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCC1CN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)O1
InChIInChI=1S/C13H15F3N2O4S/c1-2-10-8-18(12(19)22-10)7-9-5-3-4-6-11(9)17-23(20,21)13(14,15)16/h3-6,10,17H,2,7-8H2,1H3
InChIKeyGKSGMSVRVJAPJJ-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.68
Rot. Bonds5

About N-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide

N-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 50943396) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is N-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID50943396
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC NameN-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCC1CN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)O1
InChIInChI=1S/C13H15F3N2O4S/c1-2-10-8-18(12(19)22-10)7-9-5-3-4-6-11(9)17-23(20,21)13(14,15)16/h3-6,10,17H,2,7-8H2,1H3
InChIKeyGKSGMSVRVJAPJJ-UHFFFAOYSA-N
XLogP2.68
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 50943396) is N-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is CCC1CN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)O1.
What is the InChIKey of N-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is GKSGMSVRVJAPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c1-2-10-8-18(12(19)22-10)7-9-5-3-4-6-11(9)17-23(20,21)13(14,15)16/h3-6,10,17H,2,7-8H2,1H3.
What are the key properties of N-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[(5-ethyl-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, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 50943396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).