ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate

C18H21NO5S — CID 2236611

IUPACethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc(OC)c(C)cc2C)cc1
InChIInChI=1S/C18H21NO5S/c1-5-24-18(20)14-6-8-15(9-7-14)19-25(21,22)17-11-16(23-4)12(2)10-13(17)3/h6-11,19H,5H2,1-4H3
InChIKeyUZDUEPBQSVIOQB-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.29
Rot. Bonds6

About ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate

ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate (PubChem CID 2236611) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate
PubChem CID2236611
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Nameethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc(OC)c(C)cc2C)cc1
InChIInChI=1S/C18H21NO5S/c1-5-24-18(20)14-6-8-15(9-7-14)19-25(21,22)17-11-16(23-4)12(2)10-13(17)3/h6-11,19H,5H2,1-4H3
InChIKeyUZDUEPBQSVIOQB-UHFFFAOYSA-N
XLogP3.29
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146672107
ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
ethyl 4-[[2-methoxy-5-(1-methyltetrazol-5-yl)phenyl]sulfonylamino]benzoate
CID 1204216
N-(3-chloro-4-methylphenyl)-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 146076584
ethyl 4-[(2,3-diaminophenyl)sulfonylamino]benzoate
CID 90419987
N-[4-(diethylsulfamoyl)phenyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 100528166
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 796321
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009646
2-(diethylamino)ethyl 4-[(4-chloro-2,5-dimethylphenyl)sulfonylamino]benzoate
CID 22204210
ethyl 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 3610783
N-[4-[[4-(ethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methoxy-2,4-dimethylbenzenesulfonamide
CID 18566802

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate (CID 2236611) is ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2cc(OC)c(C)cc2C)cc1.
What is the InChIKey of ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate?
The InChIKey is UZDUEPBQSVIOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-5-24-18(20)14-6-8-15(9-7-14)19-25(21,22)17-11-16(23-4)12(2)10-13(17)3/h6-11,19H,5H2,1-4H3.
What are the key properties of ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate?
ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate has a molecular weight of 363.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate is sourced from PubChem (CID 2236611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).