[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate

C17H17FN2O5S — CID 7828175

IUPAC[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O5S/c1-2-19-26(23,24)15-9-3-12(4-10-15)17(22)25-11-16(21)20-14-7-5-13(18)6-8-14/h3-10,19H,2,11H2,1H3,(H,20,21)
InChIKeyYZPOSWPRXAFLAL-UHFFFAOYSA-N
MW380.40 g/mol
LogP1.92
Rot. Bonds7

About [2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate

[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate (PubChem CID 7828175) has the molecular formula C17H17FN2O5S and a molecular weight of 380.40 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
PubChem CID7828175
Molecular FormulaC17H17FN2O5S
Molecular Weight380.40 g/mol
Exact Mass380.08
IUPAC Name[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
SMILESCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FN2O5S/c1-2-19-26(23,24)15-9-3-12(4-10-15)17(22)25-11-16(21)20-14-7-5-13(18)6-8-14/h3-10,19H,2,11H2,1H3,(H,20,21)
InChIKeyYZPOSWPRXAFLAL-UHFFFAOYSA-N
XLogP1.92
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7429496
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 29459101
[2-(2,4-difluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7828167
[2-(3-methylsulfanylanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate
CID 7429620
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
[2-oxo-2-(phenylcarbamoylamino)ethyl] 4-(ethylsulfamoyl)benzoate
CID 8954643
(2-amino-2-oxoethyl) 4-(ethylsulfamoyl)benzoate
CID 7828149
[2-(4-fluoroanilino)-2-oxoethyl] 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2588139
[2-(4-chloroanilino)-2-oxoethyl] 4-fluorobenzoate
CID 724983
[2-oxo-2-(propylamino)ethyl] 4-[(4-fluorophenyl)sulfamoyl]benzoate
CID 9329423
[2-(4-fluoroanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519427
[2-(3,4-difluoroanilino)-2-oxoethyl] 4-(prop-2-enylsulfamoyl)benzoate
CID 7828428

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate (CID 7828175) is [2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate is CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
The InChIKey is YZPOSWPRXAFLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S/c1-2-19-26(23,24)15-9-3-12(4-10-15)17(22)25-11-16(21)20-14-7-5-13(18)6-8-14/h3-10,19H,2,11H2,1H3,(H,20,21).
What are the key properties of [2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate?
[2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate has a molecular weight of 380.40 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxoethyl] 4-(ethylsulfamoyl)benzoate is sourced from PubChem (CID 7828175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).