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

C20H18ClNO6S — CID 3441171

IUPAC2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H18ClNO6S/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
InChIKeyQOGDVDKMQWLBBW-UHFFFAOYSA-N
MW435.89 g/mol
LogP3.65
Rot. Bonds9

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

2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate (PubChem CID 3441171) has the molecular formula C20H18ClNO6S and a molecular weight of 435.89 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
PubChem CID3441171
Molecular FormulaC20H18ClNO6S
Molecular Weight435.89 g/mol
Exact Mass435.05
IUPAC Name2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
SMILESO=C(OCCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C20H18ClNO6S/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
InChIKeyQOGDVDKMQWLBBW-UHFFFAOYSA-N
XLogP3.65
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 53.65
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-fluorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 29169744
2-(4-chlorophenoxy)ethyl 4-(ethylsulfamoyl)benzoate
CID 42328299
2-(4-chlorophenoxy)ethyl 4-[(2-amino-2-oxoethyl)sulfamoyl]benzoate
CID 8837159
2-oxopropyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3292841
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526843
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 16526906
N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2118591
4-(furan-2-ylmethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 2555092
(2-oxo-2-pyrrolidin-1-ylethyl) 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 2550215

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate (CID 3441171) is 2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate is O=C(OCCOc1ccc(Cl)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
The InChIKey is QOGDVDKMQWLBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO6S/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-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate?
2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate has a molecular weight of 435.89 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 4-(furan-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 3441171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).