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

C24H21Cl2NO6S — CID 25094428

IUPACdiethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1C(=O)OCC
InChIInChI=1S/C24H21Cl2NO6S/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
InChIKeyDNMCODGUPCSEOC-UHFFFAOYSA-N
MW522.41 g/mol
LogP5.81
Rot. Bonds8

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

diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate (PubChem CID 25094428) has the molecular formula C24H21Cl2NO6S and a molecular weight of 522.41 g/mol. Its IUPAC name is diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
PubChem CID25094428
Molecular FormulaC24H21Cl2NO6S
Molecular Weight522.41 g/mol
Exact Mass521.05
IUPAC Namediethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1C(=O)OCC
InChIInChI=1S/C24H21Cl2NO6S/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
InChIKeyDNMCODGUPCSEOC-UHFFFAOYSA-N
XLogP5.81
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.41
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-[(4-chlorophenyl)sulfonylamino]-2-hydroxybenzoate
CID 1228409
ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 38011078
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
diethyl 4-chlorobenzene-1,2-dicarboxylate
CID 14910056
3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzenesulfonamide
CID 45138636
4-(2,4-dichlorophenyl)-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 25094423
ethyl 2-chloro-5-[(2,4-dichlorophenyl)methylsulfonylamino]benzoate
CID 30381867
ethyl 3-[[2-chloro-5-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-2-methylbenzoate
CID 92685301
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562
3-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]-N,N-dimethylbenzenesulfonamide
CID 70911541
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
2,4-dichloro-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzamide
CID 1053036

Frequently Asked Questions

What is the IUPAC name of diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
The IUPAC name of diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate (CID 25094428) is diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate.
What is the SMILES notation for diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
The canonical SMILES for diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)cc1C(=O)OCC.
What is the InChIKey of diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
The InChIKey is DNMCODGUPCSEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2NO6S/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-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate?
diethyl 4-[[4-(2,4-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate has a molecular weight of 522.41 g/mol, XLogP of 5.81, 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-dichlorophenyl)phenyl]sulfonylamino]benzene-1,2-dicarboxylate is sourced from PubChem (CID 25094428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).