2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate

C19H22FNO5S — CID 7970040

IUPAC2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCCOc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO5S/c1-3-21(4-2)27(23,24)18-7-5-6-15(14-18)19(22)26-13-12-25-17-10-8-16(20)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyWUTIUDIAOXQFBT-UHFFFAOYSA-N
MW395.45 g/mol
LogP3.09
Rot. Bonds9

About 2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate

2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate (PubChem CID 7970040) has the molecular formula C19H22FNO5S and a molecular weight of 395.45 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate
PubChem CID7970040
Molecular FormulaC19H22FNO5S
Molecular Weight395.45 g/mol
Exact Mass395.12
IUPAC Name2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCCOc2ccc(F)cc2)c1
InChIInChI=1S/C19H22FNO5S/c1-3-21(4-2)27(23,24)18-7-5-6-15(14-18)19(22)26-13-12-25-17-10-8-16(20)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3
InChIKeyWUTIUDIAOXQFBT-UHFFFAOYSA-N
XLogP3.09
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
[4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate
CID 2713487
2-(4-ethoxyphenoxy)ethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753630
2-phenoxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 7753616
2-(4-methoxyphenoxy)ethyl 3-(diethylsulfamoyl)-4-fluorobenzoate
CID 16529915
2-(4-fluorophenoxy)ethyl 3-morpholin-4-ylsulfonylbenzoate
CID 7699330
2-(3-methylphenoxy)ethyl 4-(diethylsulfamoyl)benzoate
CID 2557330
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
2-(4-methylphenoxy)ethyl 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545764
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505781

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate?
The IUPAC name of 2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate (CID 7970040) is 2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for 2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for 2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)OCCOc2ccc(F)cc2)c1.
What is the InChIKey of 2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate?
The InChIKey is WUTIUDIAOXQFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO5S/c1-3-21(4-2)27(23,24)18-7-5-6-15(14-18)19(22)26-13-12-25-17-10-8-16(20)9-11-17/h5-11,14H,3-4,12-13H2,1-2H3.
What are the key properties of 2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate?
2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate has a molecular weight of 395.45 g/mol, XLogP of 3.09, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 7970040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).