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

C13H15F3N2O5S — CID 69240884

IUPAC1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide
SMILESCC1(C)OC(=O)N(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C1O
InChIInChI=1S/C13H15F3N2O5S/c1-12(2)10(19)18(11(20)23-12)7-8-5-3-4-6-9(8)17-24(21,22)13(14,15)16/h3-6,10,17,19H,7H2,1-2H3
InChIKeyDVUZPVCGIDEUNA-UHFFFAOYSA-N
MW368.33 g/mol
LogP2.00
Rot. Bonds4

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

1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide (PubChem CID 69240884) has the molecular formula C13H15F3N2O5S and a molecular weight of 368.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide
PubChem CID69240884
Molecular FormulaC13H15F3N2O5S
Molecular Weight368.33 g/mol
Exact Mass368.07
IUPAC Name1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide
SMILESCC1(C)OC(=O)N(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C1O
InChIInChI=1S/C13H15F3N2O5S/c1-12(2)10(19)18(11(20)23-12)7-8-5-3-4-6-9(8)17-24(21,22)13(14,15)16/h3-6,10,17,19H,7H2,1-2H3
InChIKeyDVUZPVCGIDEUNA-UHFFFAOYSA-N
XLogP2.00
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide (CID 69240884) is 1,1,1-trifluoro-N-[2-[(4-hydroxy-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-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide is CC1(C)OC(=O)N(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C1O.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
The InChIKey is DVUZPVCGIDEUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O5S/c1-12(2)10(19)18(11(20)23-12)7-8-5-3-4-6-9(8)17-24(21,22)13(14,15)16/h3-6,10,17,19H,7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide has a molecular weight of 368.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[2-[(4-hydroxy-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 69240884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).