2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide

C21H16F3N3O4S — CID 24597375

IUPAC2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H16F3N3O4S/c22-13-1-8-17(9-2-13)32(30,31)27-16-6-4-15(5-7-16)26-20(28)12-25-21(29)18-10-3-14(23)11-19(18)24/h1-11,27H,12H2,(H,25,29)(H,26,28)
InChIKeyQGZOGYXIBYGVQG-UHFFFAOYSA-N
MW463.44 g/mol
LogP3.27
Rot. Bonds7

About 2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide

2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide (PubChem CID 24597375) has the molecular formula C21H16F3N3O4S and a molecular weight of 463.44 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide
PubChem CID24597375
Molecular FormulaC21H16F3N3O4S
Molecular Weight463.44 g/mol
Exact Mass463.08
IUPAC Name2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H16F3N3O4S/c22-13-1-8-17(9-2-13)32(30,31)27-16-6-4-15(5-7-16)26-20(28)12-25-21(29)18-10-3-14(23)11-19(18)24/h1-11,27H,12H2,(H,25,29)(H,26,28)
InChIKeyQGZOGYXIBYGVQG-UHFFFAOYSA-N
XLogP3.27
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-2,4-difluorobenzamide
CID 38107976
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2,4-difluorobenzamide
CID 29415155
5-[(4-fluorophenyl)sulfamoyl]-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300111
2,4-difluoro-N-[2-oxo-2-[4-(1H-pyrazol-5-yl)anilino]ethyl]benzamide
CID 55579201
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 24638119
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methyl-5-[(4-methylphenyl)sulfamoyl]benzamide
CID 55347863
4-[4-[(4-fluorophenyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1010683
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
2,4-difluoro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 38352115
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2,4-difluorobenzamide
CID 4793489

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide (CID 24597375) is 2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccc(F)cc1F)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide?
The InChIKey is QGZOGYXIBYGVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O4S/c22-13-1-8-17(9-2-13)32(30,31)27-16-6-4-15(5-7-16)26-20(28)12-25-21(29)18-10-3-14(23)11-19(18)24/h1-11,27H,12H2,(H,25,29)(H,26,28).
What are the key properties of 2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide?
2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide has a molecular weight of 463.44 g/mol, XLogP of 3.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24597375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).