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

C20H23NO8S — CID 22773009

IUPACdiethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OCC)c1
InChIInChI=1S/C20H23NO8S/c1-5-28-19(22)13-9-14(20(23)29-6-2)11-15(10-13)21-30(24,25)16-7-8-17(26-3)18(12-16)27-4/h7-12,21H,5-6H2,1-4H3
InChIKeyVUHBZIBMHDYGDE-UHFFFAOYSA-N
MW437.47 g/mol
LogP2.86
Rot. Bonds9

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

diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate (PubChem CID 22773009) has the molecular formula C20H23NO8S and a molecular weight of 437.47 g/mol. Its IUPAC name is diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
PubChem CID22773009
Molecular FormulaC20H23NO8S
Molecular Weight437.47 g/mol
Exact Mass437.11
IUPAC Namediethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OCC)c1
InChIInChI=1S/C20H23NO8S/c1-5-28-19(22)13-9-14(20(23)29-6-2)11-15(10-13)21-30(24,25)16-7-8-17(26-3)18(12-16)27-4/h7-12,21H,5-6H2,1-4H3
InChIKeyVUHBZIBMHDYGDE-UHFFFAOYSA-N
XLogP2.86
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

diethyl 5-[(4-ethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 7938305
ethyl 3-[(3-fluoro-4-methoxyphenyl)sulfonylamino]benzoate
CID 28633152
ethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]-4-(ethylamino)benzoate
CID 36619421
N-(3,5-dimethylphenyl)-3,4-dimethoxybenzenesulfonamide
CID 4828069
diethyl 5-[[4-(2-methylpropyl)phenyl]sulfonylamino]benzene-1,3-dicarboxylate
CID 22773004
dimethyl 5-[(3,4-dimethylphenyl)sulfonylamino]benzene-1,3-dicarboxylate
CID 22774942
ethyl N-[(3,4-dimethoxyphenyl)sulfonylamino]carbamate
CID 26970116
ethyl 4-[[3-[(2-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoate
CID 3950325
ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate
CID 150284750
(2-amino-2-oxoethyl) 3,5-bis[(4-ethoxyphenyl)sulfonylamino]benzoate
CID 25046962
3,4-dimethoxy-N-[4-(4-methylanilino)phenyl]benzenesulfonamide
CID 112986058
ethyl 3-(phenylsulfamoyl)benzoate
CID 100552593

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate (CID 22773009) is diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate is CCOC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
The InChIKey is VUHBZIBMHDYGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO8S/c1-5-28-19(22)13-9-14(20(23)29-6-2)11-15(10-13)21-30(24,25)16-7-8-17(26-3)18(12-16)27-4/h7-12,21H,5-6H2,1-4H3.
What are the key properties of diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate?
diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate has a molecular weight of 437.47 g/mol, XLogP of 2.86, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[(3,4-dimethoxyphenyl)sulfonylamino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 22773009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).