2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate

C15H15NO6S — CID 3292841

IUPAC2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H15NO6S/c1-11(17)10-22-15(18)12-4-6-14(7-5-12)23(19,20)16-9-13-3-2-8-21-13/h2-8,16H,9-10H2,1H3
InChIKeyLIHOBDSLOOICCM-UHFFFAOYSA-N
MW337.35 g/mol
LogP1.50
Rot. Bonds7

About 2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate

2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 3292841) has the molecular formula C15H15NO6S and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID3292841
Molecular FormulaC15H15NO6S
Molecular Weight337.35 g/mol
Exact Mass337.06
IUPAC Name2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESCC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H15NO6S/c1-11(17)10-22-15(18)12-4-6-14(7-5-12)23(19,20)16-9-13-3-2-8-21-13/h2-8,16H,9-10H2,1H3
InChIKeyLIHOBDSLOOICCM-UHFFFAOYSA-N
XLogP1.50
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550208
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
3-oxobutan-2-yl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 45353023
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2402315
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521
[2-(1-adamantylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 4310598
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550017
(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3970570
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2115625
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526843

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of 2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 3292841) is 2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for 2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for 2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate is CC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is LIHOBDSLOOICCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO6S/c1-11(17)10-22-15(18)12-4-6-14(7-5-12)23(19,20)16-9-13-3-2-8-21-13/h2-8,16H,9-10H2,1H3.
What are the key properties of 2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 337.35 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 3292841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).