1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide

C13H17FN2O4S — CID 110710197

IUPAC1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide
SMILESCN1CC(CNS(=O)(=O)Cc2ccc(F)cc2)OCC1=O
InChIInChI=1S/C13H17FN2O4S/c1-16-7-12(20-8-13(16)17)6-15-21(18,19)9-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3
InChIKeyFIYOMZVBSWZVAU-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.10
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide (PubChem CID 110710197) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide
PubChem CID110710197
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide
SMILESCN1CC(CNS(=O)(=O)Cc2ccc(F)cc2)OCC1=O
InChIInChI=1S/C13H17FN2O4S/c1-16-7-12(20-8-13(16)17)6-15-21(18,19)9-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3
InChIKeyFIYOMZVBSWZVAU-UHFFFAOYSA-N
XLogP0.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.10
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-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide (CID 110710197) is 1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide is CN1CC(CNS(=O)(=O)Cc2ccc(F)cc2)OCC1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide?
The InChIKey is FIYOMZVBSWZVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-16-7-12(20-8-13(16)17)6-15-21(18,19)9-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide has a molecular weight of 316.35 g/mol, XLogP of 0.10, 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-[(4-methyl-5-oxomorpholin-2-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110710197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).