2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate

C17H18FNO6S — CID 7974266

IUPAC2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCCOc2ccccc2F)ccc1OC
InChIInChI=1S/C17H18FNO6S/c1-19-26(21,22)16-11-12(7-8-15(16)23-2)17(20)25-10-9-24-14-6-4-3-5-13(14)18/h3-8,11,19H,9-10H2,1-2H3
InChIKeyIYRUPCCSILRYQU-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.98
Rot. Bonds8

About 2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate

2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate (PubChem CID 7974266) has the molecular formula C17H18FNO6S and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
PubChem CID7974266
Molecular FormulaC17H18FNO6S
Molecular Weight383.40 g/mol
Exact Mass383.08
IUPAC Name2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCCOc2ccccc2F)ccc1OC
InChIInChI=1S/C17H18FNO6S/c1-19-26(21,22)16-11-12(7-8-15(16)23-2)17(20)25-10-9-24-14-6-4-3-5-13(14)18/h3-8,11,19H,9-10H2,1-2H3
InChIKeyIYRUPCCSILRYQU-UHFFFAOYSA-N
XLogP1.98
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331852
2-(4-chlorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974148
(2,3-difluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 9475074
2-(2-methylphenoxy)ethyl 3-(tert-butylsulfamoyl)-4-methoxybenzoate
CID 55473339
(3-fluorophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974215
(2-bromophenyl)methyl 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974692
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 55312769
5-(hydrazinecarbonyl)-2-methoxy-N-methylbenzenesulfonamide
CID 45373547
2-(2-fluorophenoxy)ethyl 4-methylbenzoate
CID 2363713
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-methoxy-3-(methylsulfamoyl)benzoate
CID 7974236
2-(4-fluorophenoxy)ethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331974
2-(2-fluorophenoxy)ethyl 4-acetamidobenzoate
CID 4804285

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate?
The IUPAC name of 2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate (CID 7974266) is 2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for 2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate?
The canonical SMILES for 2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cc(C(=O)OCCOc2ccccc2F)ccc1OC.
What is the InChIKey of 2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate?
The InChIKey is IYRUPCCSILRYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO6S/c1-19-26(21,22)16-11-12(7-8-15(16)23-2)17(20)25-10-9-24-14-6-4-3-5-13(14)18/h3-8,11,19H,9-10H2,1-2H3.
What are the key properties of 2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate?
2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate has a molecular weight of 383.40 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)ethyl 4-methoxy-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 7974266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).