diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate

C20H23NO7S — CID 7938305

IUPACdiethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NS(=O)(=O)c2ccc(OCC)cc2)cc(C(=O)OCC)c1
InChIInChI=1S/C20H23NO7S/c1-4-26-17-7-9-18(10-8-17)29(24,25)21-16-12-14(19(22)27-5-2)11-15(13-16)20(23)28-6-3/h7-13,21H,4-6H2,1-3H3
InChIKeyDBEUQPIJQJAELI-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.24
Rot. Bonds9

About diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate

diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate (PubChem CID 7938305) has the molecular formula C20H23NO7S and a molecular weight of 421.47 g/mol. Its IUPAC name is diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
PubChem CID7938305
Molecular FormulaC20H23NO7S
Molecular Weight421.47 g/mol
Exact Mass421.12
IUPAC Namediethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NS(=O)(=O)c2ccc(OCC)cc2)cc(C(=O)OCC)c1
InChIInChI=1S/C20H23NO7S/c1-4-26-17-7-9-18(10-8-17)29(24,25)21-16-12-14(19(22)27-5-2)11-15(13-16)20(23)28-6-3/h7-13,21H,4-6H2,1-3H3
InChIKeyDBEUQPIJQJAELI-UHFFFAOYSA-N
XLogP3.24
TPSA108.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2-amino-2-oxoethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 25046962
dipropan-2-yl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773036
diethyl 5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylate
CID 22773004
ethyl 2-[(4-ethoxyphenyl)sulfonylamino]pyridine-4-carboxylate
CID 108781343
diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22773009
ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
CID 1308869
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-(3-bromo-5-methylphenyl)-4-ethoxybenzenesulfonamide
CID 110604794
ethyl 3-[(4-cyanophenyl)sulfonylamino]benzoate
CID 8823795
N-(2-amino-2-oxoethyl)-3-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 9295740
(1,3-dioxoisoindol-2-yl)methyl 4-[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 16596216

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate (CID 7938305) is diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate is CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OCC)cc2)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The InChIKey is DBEUQPIJQJAELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO7S/c1-4-26-17-7-9-18(10-8-17)29(24,25)21-16-12-14(19(22)27-5-2)11-15(13-16)20(23)28-6-3/h7-13,21H,4-6H2,1-3H3.
What are the key properties of diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate has a molecular weight of 421.47 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 7938305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).