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

C12H11F3N2O4S — CID 141203164

IUPAC1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide
SMILESO=C1OC=CCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O4S/c13-12(14,15)22(19,20)16-10-5-2-1-4-9(10)8-17-6-3-7-21-11(17)18/h1-5,7,16H,6,8H2
InChIKeyCYEIZCMXAYLHGV-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.41
Rot. Bonds4

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

1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide (PubChem CID 141203164) has the molecular formula C12H11F3N2O4S and a molecular weight of 336.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide
PubChem CID141203164
Molecular FormulaC12H11F3N2O4S
Molecular Weight336.29 g/mol
Exact Mass336.04
IUPAC Name1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide
SMILESO=C1OC=CCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H11F3N2O4S/c13-12(14,15)22(19,20)16-10-5-2-1-4-9(10)8-17-6-3-7-21-11(17)18/h1-5,7,16H,6,8H2
InChIKeyCYEIZCMXAYLHGV-UHFFFAOYSA-N
XLogP2.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1-trifluoro-N-[2-[(3-methylidene-2-oxopiperidin-1-yl)methyl]phenyl]methanesulfonamide
CID 145215692
1,1,1-trifluoro-N-[2-[(2-oxo-6,6-dipropyl-1,3-oxazepan-3-yl)methyl]phenyl]methanesulfonamide
CID 50943935
N-[2-[(4-ethyl-4-methyl-2,3-dioxopiperidin-1-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 145215681
1,1,1-trifluoro-N-[2-[[6-(2-methoxyphenyl)-2-oxo-1,3-oxazinan-3-yl]methyl]phenyl]methanesulfonamide
CID 50943847
N-[2-[(5,5-dimethyl-1,3-thiazolidin-3-yl)methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 141147546
1,1,1-trifluoro-N-[2-[[(3E)-3-[(2-fluorophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]phenyl]methanesulfonamide
CID 145215693
1,1,1-trifluoro-N-[2-[(9-methoxy-8-oxo-7-azaspiro[3.5]nonan-7-yl)methyl]phenyl]methanesulfonamide
CID 145215623
N-[2-[[(3E)-3-[(4-cyanophenyl)methylidene]-2-oxopiperidin-1-yl]methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 145215688
1,1,1-trifluoro-N-[2-[[(10E)-9-oxo-10-prop-2-enoxyimino-8-azaspiro[4.5]decan-8-yl]methyl]phenyl]methanesulfonamide
CID 145215612
N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
CID 12833907
N-[2-[[(3E)-3-benzylidene-5-methyl-2-oxopyrrolidin-1-yl]methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 145215684
N-[2-[[1-(2,6-dichlorophenyl)-5-oxo-1,2,4-triazol-4-yl]methyl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 139986588

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide (CID 141203164) is 1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide is O=C1OC=CCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide?
The InChIKey is CYEIZCMXAYLHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O4S/c13-12(14,15)22(19,20)16-10-5-2-1-4-9(10)8-17-6-3-7-21-11(17)18/h1-5,7,16H,6,8H2.
What are the key properties of 1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[(2-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide has a molecular weight of 336.29 g/mol, XLogP of 2.41, 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-oxo-4H-1,3-oxazin-3-yl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 141203164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).