ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate

C24H23ClN2O6S — CID 177311356

IUPACethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccc(Cl)cc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C24H23ClN2O6S/c1-3-32-24(29)18-6-4-17(5-7-18)15-33-23-13-8-19(25)14-22(23)27-34(30,31)21-11-9-20(10-12-21)26-16(2)28/h4-14,27H,3,15H2,1-2H3,(H,26,28)
InChIKeyKECAKBIEEPKYEH-UHFFFAOYSA-N
MW502.98 g/mol
LogP4.85
Rot. Bonds9

About ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate

ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate (PubChem CID 177311356) has the molecular formula C24H23ClN2O6S and a molecular weight of 502.98 g/mol. Its IUPAC name is ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate
PubChem CID177311356
Molecular FormulaC24H23ClN2O6S
Molecular Weight502.98 g/mol
Exact Mass502.10
IUPAC Nameethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate
SMILESCCOC(=O)c1ccc(COc2ccc(Cl)cc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C24H23ClN2O6S/c1-3-32-24(29)18-6-4-17(5-7-18)15-33-23-13-8-19(25)14-22(23)27-34(30,31)21-11-9-20(10-12-21)26-16(2)28/h4-14,27H,3,15H2,1-2H3,(H,26,28)
InChIKeyKECAKBIEEPKYEH-UHFFFAOYSA-N
XLogP4.85
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.98
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate with MolForge

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Related Compounds

4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoic acid
CID 177311375
N-[4-[[5-chloro-2-[(4-morpholin-4-ylsulfonylphenyl)methoxy]phenyl]sulfamoyl]phenyl]acetamide
CID 177311374
ethyl 4-[[5-chloro-2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzoate
CID 15872311
N-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenyl]acetamide
CID 2205494
N-[4-[(5-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 154297068
N-[4-[[2-ethoxy-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 990969
N-[4-[[4-[(5-chloro-2-methylphenyl)sulfamoyl]phenyl]sulfamoyl]phenyl]acetamide
CID 1319892
N-[3-[(4-ethylphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 4149127
methyl 4-[[4-chloro-2-[(2-propan-2-ylphenyl)sulfonylamino]phenoxy]methyl]benzoate
CID 66918306
ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725585
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
N-(5-chloro-2-ethoxyphenyl)benzenesulfonamide
CID 47310702

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate?
The IUPAC name of ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate (CID 177311356) is ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate?
The canonical SMILES for ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate is CCOC(=O)c1ccc(COc2ccc(Cl)cc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate?
The InChIKey is KECAKBIEEPKYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O6S/c1-3-32-24(29)18-6-4-17(5-7-18)15-33-23-13-8-19(25)14-22(23)27-34(30,31)21-11-9-20(10-12-21)26-16(2)28/h4-14,27H,3,15H2,1-2H3,(H,26,28).
What are the key properties of ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate?
ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate has a molecular weight of 502.98 g/mol, XLogP of 4.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[(4-acetamidophenyl)sulfonylamino]-4-chlorophenoxy]methyl]benzoate is sourced from PubChem (CID 177311356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).