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

C13H15F3N2O4S — CID 11667497

IUPACN-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCC1COC(=O)N1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O4S/c1-2-10-8-22-12(19)18(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
InChIKeyYYMUMBFECCGMOQ-UHFFFAOYSA-N
MW352.33 g/mol
LogP2.68
Rot. Bonds5

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

N-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (PubChem CID 11667497) has the molecular formula C13H15F3N2O4S and a molecular weight of 352.33 g/mol. Its IUPAC name is N-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
PubChem CID11667497
Molecular FormulaC13H15F3N2O4S
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC NameN-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
SMILESCCC1COC(=O)N1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C13H15F3N2O4S/c1-2-10-8-22-12(19)18(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
InChIKeyYYMUMBFECCGMOQ-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

Analyze N-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide with MolForge

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Related Compounds

3-Oxazolidinesulfonamide, N-(4-methylphenyl)-2-oxo-
CID 9795067
(6S)-14-methyl-9-methylsulfonyl-4-oxa-2,9-diazatricyclo[9.4.0.02,6]pentadeca-1(11),12,14-trien-3-one
CID 75529146
2-[2-Oxo-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-5-yl]ethyl methanesulfonate
CID 15158314
3-[4-Amino-3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 20385320
1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide
CID 50943393
5-Ethyl-3-[2-(trifluoromethanesulfonylamino)benzyl]-2-oxazolidinone
CID 50943396
3-[2-(Trifluoromethanesulfonylamino)benzyl]-[1,3]-oxazinan-2-one
CID 50943475
4-(2-Trifluoromethanesulfonylaminobenzyl)-1,4-oxazinan-3-one
CID 66709293
6-Methyl-3-[2-(trifluoromethanesulfonylamino)benzyl]-[1,3]-oxazepan-2-one
CID 67459000
4-Methyl-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 67517969
5-Methyl-3-[2-(trifluoromethanesulfonylamino)benzyl]-4-oxazolin-2-one
CID 69237972
3-{2-[N-(isobutoxycarbonyl)-N-(trifluoromethanesulfonyl)amino]benzyl}-5,5-dimethyloxazolidine-2,4-dione
CID 69238269

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The IUPAC name of N-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide (CID 11667497) is N-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide.
What is the SMILES notation for N-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The canonical SMILES for N-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is CCC1COC(=O)N1Cc1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of N-[2-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
The InChIKey is YYMUMBFECCGMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O4S/c1-2-10-8-22-12(19)18(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-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide?
N-[2-[(4-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-[(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide is sourced from PubChem (CID 11667497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).