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

C24H22FNO6S — CID 25094696

IUPACdiethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1C(=O)OCC
InChIInChI=1S/C24H22FNO6S/c1-3-31-23(27)21-14-11-19(15-22(21)24(28)32-4-2)26-33(29,30)20-12-7-17(8-13-20)16-5-9-18(25)10-6-16/h5-15,26H,3-4H2,1-2H3
InChIKeyKLGXRUBSQHMDFY-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.65
Rot. Bonds8

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

diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate (PubChem CID 25094696) has the molecular formula C24H22FNO6S and a molecular weight of 471.51 g/mol. Its IUPAC name is diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
PubChem CID25094696
Molecular FormulaC24H22FNO6S
Molecular Weight471.51 g/mol
Exact Mass471.12
IUPAC Namediethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1C(=O)OCC
InChIInChI=1S/C24H22FNO6S/c1-3-31-23(27)21-14-11-19(15-22(21)24(28)32-4-2)26-33(29,30)20-12-7-17(8-13-20)16-5-9-18(25)10-6-16/h5-15,26H,3-4H2,1-2H3
InChIKeyKLGXRUBSQHMDFY-UHFFFAOYSA-N
XLogP4.65
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.65
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-[3-(1-oxo-4-prop-2-enylisochromen-3-yl)phenyl]benzenesulfonamide
CID 164613930
N-[4-(7-fluoro-1-oxo-4-prop-2-enylisochromen-3-yl)phenyl]benzenesulfonamide
CID 164619316

Frequently Asked Questions

What is the IUPAC name of diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
The IUPAC name of diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate (CID 25094696) is diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
The canonical SMILES for diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)cc1C(=O)OCC.
What is the InChIKey of diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
The InChIKey is KLGXRUBSQHMDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FNO6S/c1-3-31-23(27)21-14-11-19(15-22(21)24(28)32-4-2)26-33(29,30)20-12-7-17(8-13-20)16-5-9-18(25)10-6-16/h5-15,26H,3-4H2,1-2H3.
What are the key properties of diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate has a molecular weight of 471.51 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 4-[[4-(4-fluorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate is sourced from PubChem (CID 25094696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).