1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide

C12H11F3N2O4S — CID 69237972

IUPAC1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide
SMILESCc1cn(Cc2ccccc2NS(=O)(=O)C(F)(F)F)c(=O)o1
InChIInChI=1S/C12H11F3N2O4S/c1-8-6-17(11(18)21-8)7-9-4-2-3-5-10(9)16-22(19,20)12(13,14)15/h2-6,16H,7H2,1H3
InChIKeyVTVUOKNARQFGFV-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.06
Rot. Bonds4

About 1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide

1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide (PubChem CID 69237972) has the molecular formula C12H11F3N2O4S and a molecular weight of 336.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide
PubChem CID69237972
Molecular FormulaC12H11F3N2O4S
Molecular Weight336.29 g/mol
Exact Mass336.04
IUPAC Name1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide
SMILESCc1cn(Cc2ccccc2NS(=O)(=O)C(F)(F)F)c(=O)o1
InChIInChI=1S/C12H11F3N2O4S/c1-8-6-17(11(18)21-8)7-9-4-2-3-5-10(9)16-22(19,20)12(13,14)15/h2-6,16H,7H2,1H3
InChIKeyVTVUOKNARQFGFV-UHFFFAOYSA-N
XLogP2.06
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide with MolForge

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Related Compounds

tert-butyl N-[(2-aminophenyl)methyl]-N-methylcarbamate
CID 25180534
Dimesulfazet
CID 73388382
tert-butyl N-[(R)-phenyl-[2-(trifluoromethylsulfonylamino)phenyl]methyl]carbamate
CID 162417170
4-Ethyl-3-[2-(trifluoromethanesulfonylamino)benzyl]-2-oxazolidinone
CID 11667497
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
6,6-Dimethyl-3-(2-trifluoromethanesulfonylaminobenzyl)-1,3-oxazinan-4-one
CID 66709448
6-Methyl-3-[2-(trifluoromethanesulfonylamino)benzyl]-[1,3]-oxazepan-2-one
CID 67459000
3-{2-[N-(isobutoxycarbonyl)-N-(trifluoromethanesulfonyl)amino]benzyl}-5-methyl-4-oxazolin-2-one
CID 69239883
4-Hydroxy-5,5-dimethyl-3-[2-(trifluoromethanesulfonylamino)benzyl]oxazolidin-2-one
CID 69240884
4-Methoxy-5,5-dimethyl-3-[2-(trifluoromethanesulfonylamino)benzyl]oxazolidin-2-one
CID 69240910

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide (CID 69237972) is 1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide is Cc1cn(Cc2ccccc2NS(=O)(=O)C(F)(F)F)c(=O)o1.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide?
The InChIKey is VTVUOKNARQFGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O4S/c1-8-6-17(11(18)21-8)7-9-4-2-3-5-10(9)16-22(19,20)12(13,14)15/h2-6,16H,7H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide has a molecular weight of 336.29 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-[(5-methyl-2-oxo-1,3-oxazol-3-yl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 69237972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).