2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate

C20H18FNO6S — CID 29169744

IUPAC2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCCOc1ccc(F)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H18FNO6S/c21-16-5-7-17(8-6-16)27-12-13-28-20(23)15-3-9-19(10-4-15)29(24,25)22-14-18-2-1-11-26-18/h1-11,22H,12-14H2
InChIKeyHQASALHJZUUMAC-UHFFFAOYSA-N
MW419.43 g/mol
LogP3.13
Rot. Bonds9

About 2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate

2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 29169744) has the molecular formula C20H18FNO6S and a molecular weight of 419.43 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID29169744
Molecular FormulaC20H18FNO6S
Molecular Weight419.43 g/mol
Exact Mass419.08
IUPAC Name2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCCOc1ccc(F)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H18FNO6S/c21-16-5-7-17(8-6-16)27-12-13-28-20(23)15-3-9-19(10-4-15)29(24,25)22-14-18-2-1-11-26-18/h1-11,22H,12-14H2
InChIKeyHQASALHJZUUMAC-UHFFFAOYSA-N
XLogP3.13
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3441171
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2418521
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
3-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propane-1-sulfonamide
CID 16884354
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2409383
4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 2555092
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550017
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215
(1,3-dioxoisoindol-2-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3970570
[2-(cyclohexylamino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2401305

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 29169744) is 2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(OCCOc1ccc(F)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is HQASALHJZUUMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO6S/c21-16-5-7-17(8-6-16)27-12-13-28-20(23)15-3-9-19(10-4-15)29(24,25)22-14-18-2-1-11-26-18/h1-11,22H,12-14H2.
What are the key properties of 2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 419.43 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 29169744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).