2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide

C15H19FN2O4S — CID 138009411

IUPAC2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)CCOC1(C#N)CCOC1
InChIInChI=1S/C15H19FN2O4S/c1-18(10-13-3-2-4-14(16)9-13)23(19,20)8-7-22-15(11-17)5-6-21-12-15/h2-4,9H,5-8,10,12H2,1H3
InChIKeyXIDWRKPMITXOSA-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.29
Rot. Bonds7

About 2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide

2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide (PubChem CID 138009411) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide
PubChem CID138009411
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide
SMILESCN(Cc1cccc(F)c1)S(=O)(=O)CCOC1(C#N)CCOC1
InChIInChI=1S/C15H19FN2O4S/c1-18(10-13-3-2-4-14(16)9-13)23(19,20)8-7-22-15(11-17)5-6-21-12-15/h2-4,9H,5-8,10,12H2,1H3
InChIKeyXIDWRKPMITXOSA-UHFFFAOYSA-N
XLogP1.29
TPSA79.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide?
The IUPAC name of 2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide (CID 138009411) is 2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide.
What is the SMILES notation for 2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide?
The canonical SMILES for 2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide is CN(Cc1cccc(F)c1)S(=O)(=O)CCOC1(C#N)CCOC1.
What is the InChIKey of 2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide?
The InChIKey is XIDWRKPMITXOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-18(10-13-3-2-4-14(16)9-13)23(19,20)8-7-22-15(11-17)5-6-21-12-15/h2-4,9H,5-8,10,12H2,1H3.
What are the key properties of 2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide?
2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide has a molecular weight of 342.39 g/mol, XLogP of 1.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanooxolan-3-yl)oxy-N-[(3-fluorophenyl)methyl]-N-methylethanesulfonamide is sourced from PubChem (CID 138009411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).