1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide

C12H15FN2O4S — CID 110710445

IUPAC1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
SMILESCN1CC(CNS(=O)(=O)Cc2ccc(F)cc2)OC1=O
InChIInChI=1S/C12H15FN2O4S/c1-15-7-11(19-12(15)16)6-14-20(17,18)8-9-2-4-10(13)5-3-9/h2-5,11,14H,6-8H2,1H3
InChIKeyIWYOTAJQLFIICC-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.70
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide (PubChem CID 110710445) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
PubChem CID110710445
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide
SMILESCN1CC(CNS(=O)(=O)Cc2ccc(F)cc2)OC1=O
InChIInChI=1S/C12H15FN2O4S/c1-15-7-11(19-12(15)16)6-14-20(17,18)8-9-2-4-10(13)5-3-9/h2-5,11,14H,6-8H2,1H3
InChIKeyIWYOTAJQLFIICC-UHFFFAOYSA-N
XLogP0.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide (CID 110710445) is 1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide is CN1CC(CNS(=O)(=O)Cc2ccc(F)cc2)OC1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide?
The InChIKey is IWYOTAJQLFIICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-15-7-11(19-12(15)16)6-14-20(17,18)8-9-2-4-10(13)5-3-9/h2-5,11,14H,6-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide has a molecular weight of 302.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110710445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).