[2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

C19H20FNO5S — CID 8705370

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H20FNO5S/c1-3-21(4-2)27(24,25)15-11-9-14(10-12-15)19(23)26-13-18(22)16-7-5-6-8-17(16)20/h5-12H,3-4,13H2,1-2H3
InChIKeyHJQVRZUZGQLHMG-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.90
Rot. Bonds8

About [2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate

[2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (PubChem CID 8705370) has the molecular formula C19H20FNO5S and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
PubChem CID8705370
Molecular FormulaC19H20FNO5S
Molecular Weight393.44 g/mol
Exact Mass393.10
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H20FNO5S/c1-3-21(4-2)27(24,25)15-11-9-14(10-12-15)19(23)26-13-18(22)16-7-5-6-8-17(16)20/h5-12H,3-4,13H2,1-2H3
InChIKeyHJQVRZUZGQLHMG-UHFFFAOYSA-N
XLogP2.90
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-propylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 55314582
[2-(2-acetylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557443
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 8000290
[2-(N-methylanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2431081
(2-anilino-2-oxoethyl) 4-(diethylsulfamoyl)benzoate
CID 2557673
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 4-(diethylsulfamoyl)benzoate
CID 2557746
[2-(ethylamino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2364687
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2557613
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 8705320
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate
CID 2373388
(2-methylphenyl)methyl 4-(diethylsulfamoyl)benzoate
CID 7784760
(2,3,4,5,6-pentafluorophenyl) 4-(diethylsulfamoyl)benzoate
CID 19096174

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate (CID 8705370) is [2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccccc2F)cc1.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
The InChIKey is HJQVRZUZGQLHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO5S/c1-3-21(4-2)27(24,25)15-11-9-14(10-12-15)19(23)26-13-18(22)16-7-5-6-8-17(16)20/h5-12H,3-4,13H2,1-2H3.
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate?
[2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate has a molecular weight of 393.44 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] 4-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 8705370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).