[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate

C15H16FNO5S — CID 55730537

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)Cc2ccccc2F)o1
InChIInChI=1S/C15H16FNO5S/c1-17(2)23(19,20)15-8-7-12(22-15)10-21-14(18)9-11-5-3-4-6-13(11)16/h3-8H,9-10H2,1-2H3
InChIKeyTVGUQGFOUAURDR-UHFFFAOYSA-N
MW341.36 g/mol
LogP1.95
Rot. Bonds6

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate (PubChem CID 55730537) has the molecular formula C15H16FNO5S and a molecular weight of 341.36 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate
PubChem CID55730537
Molecular FormulaC15H16FNO5S
Molecular Weight341.36 g/mol
Exact Mass341.07
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate
SMILESCN(C)S(=O)(=O)c1ccc(COC(=O)Cc2ccccc2F)o1
InChIInChI=1S/C15H16FNO5S/c1-17(2)23(19,20)15-8-7-12(22-15)10-21-14(18)9-11-5-3-4-6-13(11)16/h3-8H,9-10H2,1-2H3
InChIKeyTVGUQGFOUAURDR-UHFFFAOYSA-N
XLogP1.95
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate (CID 55730537) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate is CN(C)S(=O)(=O)c1ccc(COC(=O)Cc2ccccc2F)o1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate?
The InChIKey is TVGUQGFOUAURDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO5S/c1-17(2)23(19,20)15-8-7-12(22-15)10-21-14(18)9-11-5-3-4-6-13(11)16/h3-8H,9-10H2,1-2H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate has a molecular weight of 341.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(2-fluorophenyl)acetate is sourced from PubChem (CID 55730537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).