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

C11H11F3N2O4S — CID 50943393

IUPAC1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide
SMILESO=C1OCCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O4S/c12-11(13,14)21(18,19)15-9-4-2-1-3-8(9)7-16-5-6-20-10(16)17/h1-4,15H,5-7H2
InChIKeyMPZPTFDURWYARG-UHFFFAOYSA-N
MW324.28 g/mol
LogP1.90
Rot. Bonds4

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

1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide (PubChem CID 50943393) has the molecular formula C11H11F3N2O4S and a molecular weight of 324.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide
PubChem CID50943393
Molecular FormulaC11H11F3N2O4S
Molecular Weight324.28 g/mol
Exact Mass324.04
IUPAC Name1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide
SMILESO=C1OCCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H11F3N2O4S/c12-11(13,14)21(18,19)15-9-4-2-1-3-8(9)7-16-5-6-20-10(16)17/h1-4,15H,5-7H2
InChIKeyMPZPTFDURWYARG-UHFFFAOYSA-N
XLogP1.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide (CID 50943393) is 1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide is O=C1OCCN1Cc1ccccc1NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
The InChIKey is MPZPTFDURWYARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O4S/c12-11(13,14)21(18,19)15-9-4-2-1-3-8(9)7-16-5-6-20-10(16)17/h1-4,15H,5-7H2.
What are the key properties of 1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide?
1,1,1-trifluoro-N-[2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide has a molecular weight of 324.28 g/mol, XLogP of 1.90, 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-1,3-oxazolidin-3-yl)methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 50943393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).