(2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate

C27H19F2NO5S — CID 25039219

IUPAC(2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate
SMILESO=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C27H19F2NO5S/c28-22-16-15-20(17-23(22)29)36(33,34)30-24-14-8-7-13-21(24)27(32)35-26(19-11-5-2-6-12-19)25(31)18-9-3-1-4-10-18/h1-17,26,30H
InChIKeyISGDFAMGKDTKPH-UHFFFAOYSA-N
MW507.51 g/mol
LogP5.55
Rot. Bonds8

About (2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate

(2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate (PubChem CID 25039219) has the molecular formula C27H19F2NO5S and a molecular weight of 507.51 g/mol. Its IUPAC name is (2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Name(2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate
PubChem CID25039219
Molecular FormulaC27H19F2NO5S
Molecular Weight507.51 g/mol
Exact Mass507.10
IUPAC Name(2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate
SMILESO=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C27H19F2NO5S/c28-22-16-15-20(17-23(22)29)36(33,34)30-24-14-8-7-13-21(24)27(32)35-26(19-11-5-2-6-12-19)25(31)18-9-3-1-4-10-18/h1-17,26,30H
InChIKeyISGDFAMGKDTKPH-UHFFFAOYSA-N
XLogP5.55
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-difluorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 8002055
(2-oxo-1,2-diphenylethyl) 2-hydrazinylbenzoate
CID 174432426
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-benzamidobenzoate
CID 126184796
[2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-[(4-bromophenyl)sulfonylamino]benzoate
CID 4969062
[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 2455378
[(2S)-1-amino-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]benzoate
CID 7744842
N-[4-[(2-benzoylphenyl)sulfamoyl]-2-fluorophenyl]acetamide
CID 71417364
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoate
CID 55390190
(1-oxo-1-phenylpropan-2-yl) 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18127630
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-[(3,4-difluorophenyl)sulfonylamino]benzoate
CID 2480768
[(1S)-2-oxo-1,2-diphenylethyl] 4-chlorobenzoate
CID 2360889
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate?
The IUPAC name of (2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate (CID 25039219) is (2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for (2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for (2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate is O=C(OC(C(=O)c1ccccc1)c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of (2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate?
The InChIKey is ISGDFAMGKDTKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2NO5S/c28-22-16-15-20(17-23(22)29)36(33,34)30-24-14-8-7-13-21(24)27(32)35-26(19-11-5-2-6-12-19)25(31)18-9-3-1-4-10-18/h1-17,26,30H.
What are the key properties of (2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate?
(2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate has a molecular weight of 507.51 g/mol, XLogP of 5.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,2-diphenylethyl) 2-[(3,4-difluorophenyl)sulfonylamino]benzoate is sourced from PubChem (CID 25039219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).