ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate

C23H20Cl2N2O5S — CID 92672233

IUPACethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)ccc1Cl
InChIInChI=1S/C23H20Cl2N2O5S/c1-3-32-23(29)18-13-17(9-11-19(18)24)26-22(28)15-6-10-20(25)21(12-15)33(30,31)27-16-7-4-14(2)5-8-16/h4-13,27H,3H2,1-2H3,(H,26,28)
InChIKeyMYORVHIROJYETL-UHFFFAOYSA-N
MW507.40 g/mol
LogP5.53
Rot. Bonds7

About ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate

ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate (PubChem CID 92672233) has the molecular formula C23H20Cl2N2O5S and a molecular weight of 507.40 g/mol. Its IUPAC name is ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
PubChem CID92672233
Molecular FormulaC23H20Cl2N2O5S
Molecular Weight507.40 g/mol
Exact Mass506.05
IUPAC Nameethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
SMILESCCOC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)ccc1Cl
InChIInChI=1S/C23H20Cl2N2O5S/c1-3-32-23(29)18-13-17(9-11-19(18)24)26-22(28)15-6-10-20(25)21(12-15)33(30,31)27-16-7-4-14(2)5-8-16/h4-13,27H,3H2,1-2H3,(H,26,28)
InChIKeyMYORVHIROJYETL-UHFFFAOYSA-N
XLogP5.53
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.40
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate with MolForge

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Related Compounds

4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992
ethyl 5-[[4-(benzenesulfonamido)benzoyl]amino]-2-chlorobenzoate
CID 28573562
4-chloro-N-[4-(diethylsulfamoyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 4551872
ethyl 2-chloro-4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 28575515
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
ethyl 2-chloro-5-[[4-[(4-methylphenyl)methyl-methylsulfonylamino]benzoyl]amino]benzoate
CID 92681248
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-chloro-N-(4-ethoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 126387201
ethyl 2-chloro-5-[[4-[methyl(methylsulfonyl)amino]benzoyl]amino]benzoate
CID 46778786
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 92675230
4-chloro-3-[(4-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 80695158
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate (CID 92672233) is ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate is CCOC(=O)c1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)ccc1Cl.
What is the InChIKey of ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate?
The InChIKey is MYORVHIROJYETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O5S/c1-3-32-23(29)18-13-17(9-11-19(18)24)26-22(28)15-6-10-20(25)21(12-15)33(30,31)27-16-7-4-14(2)5-8-16/h4-13,27H,3H2,1-2H3,(H,26,28).
What are the key properties of ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate?
ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate has a molecular weight of 507.40 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-5-[[4-chloro-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoate is sourced from PubChem (CID 92672233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).