1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide

C14H17F3N2O5S — CID 69240910

IUPAC1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide
SMILESCOC1N(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)OC1(C)C
InChIInChI=1S/C14H17F3N2O5S/c1-13(2)11(23-3)19(12(20)24-13)8-9-6-4-5-7-10(9)18-25(21,22)14(15,16)17/h4-7,11,18H,8H2,1-3H3
InChIKeyVSLRMZNKSIHHDR-UHFFFAOYSA-N
MW382.36 g/mol
LogP2.65
Rot. Bonds5

About 1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide

1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide (PubChem CID 69240910) has the molecular formula C14H17F3N2O5S and a molecular weight of 382.36 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide
PubChem CID69240910
Molecular FormulaC14H17F3N2O5S
Molecular Weight382.36 g/mol
Exact Mass382.08
IUPAC Name1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide
SMILESCOC1N(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)OC1(C)C
InChIInChI=1S/C14H17F3N2O5S/c1-13(2)11(23-3)19(12(20)24-13)8-9-6-4-5-7-10(9)18-25(21,22)14(15,16)17/h4-7,11,18H,8H2,1-3H3
InChIKeyVSLRMZNKSIHHDR-UHFFFAOYSA-N
XLogP2.65
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide (CID 69240910) is 1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide is COC1N(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)OC1(C)C.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
The InChIKey is VSLRMZNKSIHHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O5S/c1-13(2)11(23-3)19(12(20)24-13)8-9-6-4-5-7-10(9)18-25(21,22)14(15,16)17/h4-7,11,18H,8H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide has a molecular weight of 382.36 g/mol, XLogP of 2.65, 5 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-[(4-methoxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 69240910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).