ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate

C17H18FNO5S — CID 30867087

IUPACethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO5S/c1-2-23-17(20)13-3-9-16(10-4-13)25(21,22)19-11-12-24-15-7-5-14(18)6-8-15/h3-10,19H,2,11-12H2,1H3
InChIKeyBJBPSDHIJPZSKR-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.36
Rot. Bonds8

About ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate

ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate (PubChem CID 30867087) has the molecular formula C17H18FNO5S and a molecular weight of 367.40 g/mol. Its IUPAC name is ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate
PubChem CID30867087
Molecular FormulaC17H18FNO5S
Molecular Weight367.40 g/mol
Exact Mass367.09
IUPAC Nameethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO5S/c1-2-23-17(20)13-3-9-16(10-4-13)25(21,22)19-11-12-24-15-7-5-14(18)6-8-15/h3-10,19H,2,11-12H2,1H3
InChIKeyBJBPSDHIJPZSKR-UHFFFAOYSA-N
XLogP2.36
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate?
The IUPAC name of ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate (CID 30867087) is ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate?
The InChIKey is BJBPSDHIJPZSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO5S/c1-2-23-17(20)13-3-9-16(10-4-13)25(21,22)19-11-12-24-15-7-5-14(18)6-8-15/h3-10,19H,2,11-12H2,1H3.
What are the key properties of ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate?
ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate has a molecular weight of 367.40 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(4-fluorophenoxy)ethylsulfamoyl]benzoate is sourced from PubChem (CID 30867087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).