ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate

C22H18Cl2N2O5S — CID 22646291

IUPACethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18Cl2N2O5S/c1-2-31-22(28)14-4-3-5-17(12-14)25-21(27)19-13-16(24)8-11-20(19)26-32(29,30)18-9-6-15(23)7-10-18/h3-13,26H,2H2,1H3,(H,25,27)
InChIKeyRSYHROIOACOLQK-UHFFFAOYSA-N
MW493.37 g/mol
LogP5.22
Rot. Bonds7

About ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate

ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate (PubChem CID 22646291) has the molecular formula C22H18Cl2N2O5S and a molecular weight of 493.37 g/mol. Its IUPAC name is ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
PubChem CID22646291
Molecular FormulaC22H18Cl2N2O5S
Molecular Weight493.37 g/mol
Exact Mass492.03
IUPAC Nameethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H18Cl2N2O5S/c1-2-31-22(28)14-4-3-5-17(12-14)25-21(27)19-13-16(24)8-11-20(19)26-32(29,30)18-9-6-15(23)7-10-18/h3-13,26H,2H2,1H3,(H,25,27)
InChIKeyRSYHROIOACOLQK-UHFFFAOYSA-N
XLogP5.22
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.37
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
CID 71508678
ethyl 3-[(2,4-dichlorobenzoyl)amino]benzoate
CID 769408
N-(4-carbamoylphenyl)-5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 22646280
ethyl 5-chloro-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 139957908
2-(diethylamino)ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 22646343
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
ethyl 4-[[2-(benzenesulfonamido)benzoyl]amino]-3-chlorobenzoate
CID 92679847
ethyl 3-[[3-[(4-chlorophenyl)sulfonylamino]quinoxalin-2-yl]amino]benzoate
CID 1402949
ethyl 3-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate
CID 163322765
ethyl 3-[(4-propan-2-ylphenyl)sulfonylamino]benzoate
CID 8823779
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(3,4,5-trifluorophenyl)benzamide
CID 22646340

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate?
The IUPAC name of ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate (CID 22646291) is ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2NS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate?
The InChIKey is RSYHROIOACOLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O5S/c1-2-31-22(28)14-4-3-5-17(12-14)25-21(27)19-13-16(24)8-11-20(19)26-32(29,30)18-9-6-15(23)7-10-18/h3-13,26H,2H2,1H3,(H,25,27).
What are the key properties of ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate?
ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate has a molecular weight of 493.37 g/mol, XLogP of 5.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate is sourced from PubChem (CID 22646291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).