diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate

C24H21F2NO6S — CID 25094695

IUPACdiethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)cc1C(=O)OCC
InChIInChI=1S/C24H21F2NO6S/c1-3-32-23(28)20-12-8-17(14-21(20)24(29)33-4-2)27-34(30,31)18-9-5-15(6-10-18)19-11-7-16(25)13-22(19)26/h5-14,27H,3-4H2,1-2H3
InChIKeySWIRNVSDDWWDLE-UHFFFAOYSA-N
MW489.50 g/mol
LogP4.79
Rot. Bonds8

About diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate

diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate (PubChem CID 25094695) has the molecular formula C24H21F2NO6S and a molecular weight of 489.50 g/mol. Its IUPAC name is diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
PubChem CID25094695
Molecular FormulaC24H21F2NO6S
Molecular Weight489.50 g/mol
Exact Mass489.11
IUPAC Namediethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)cc1C(=O)OCC
InChIInChI=1S/C24H21F2NO6S/c1-3-32-23(28)20-12-8-17(14-21(20)24(29)33-4-2)27-34(30,31)18-9-5-15(6-10-18)19-11-7-16(25)13-22(19)26/h5-14,27H,3-4H2,1-2H3
InChIKeySWIRNVSDDWWDLE-UHFFFAOYSA-N
XLogP4.79
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 2811662
4-(Toluene-4-sulfonylamino)-benzoic acid methyl ester
CID 792726
4-tert-butyl-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)benzenesulfonamide
CID 2227042
N-[3-(7-fluoro-1-oxo-4-prop-2-enylisochromen-3-yl)phenyl]benzenesulfonamide
CID 164611344
Methyl 2-Methyl-3-(4-methylphenylsulfonamido)benzoate
CID 956298
[2-[4-(Benzenesulfonamido)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl] benzoate
CID 2310500
4-fluoro-3-methyl-N-(1-oxo-1,3-dihydro-2-benzofuran-5-yl)benzenesulfonamide
CID 1251479
N-[3-(7-fluoro-1-oxo-4-prop-2-enylisochromen-3-yl)phenyl]-4-methylbenzenesulfonamide
CID 164609698
N-[4-(7-fluoro-1-oxo-4-prop-2-enylisochromen-3-yl)phenyl]-4-methylbenzenesulfonamide
CID 164610460
N-[4-(1-oxo-4-prop-2-enylisochromen-3-yl)phenyl]benzenesulfonamide
CID 164612717
N-[4-(7-fluoro-1-oxo-4-prop-2-enylisochromen-3-yl)phenyl]benzenesulfonamide
CID 164619316
4-methyl-N-[3-(1-oxo-4-prop-2-enylisochromen-3-yl)phenyl]benzenesulfonamide
CID 164629227

Frequently Asked Questions

What is the IUPAC name of diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
The IUPAC name of diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate (CID 25094695) is diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
The canonical SMILES for diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3F)cc2)cc1C(=O)OCC.
What is the InChIKey of diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
The InChIKey is SWIRNVSDDWWDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO6S/c1-3-32-23(28)20-12-8-17(14-21(20)24(29)33-4-2)27-34(30,31)18-9-5-15(6-10-18)19-11-7-16(25)13-22(19)26/h5-14,27H,3-4H2,1-2H3.
What are the key properties of diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate has a molecular weight of 489.50 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-[[4-(2,4-difluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate is sourced from PubChem (CID 25094695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).