ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate

C18H18Cl2N2O5S — CID 50889406

IUPACethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate
SMILESCCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H18Cl2N2O5S/c1-3-27-17(24)11-22(16-6-4-5-15(19)18(16)20)28(25,26)14-9-7-13(8-10-14)21-12(2)23/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyIYTPOAMBOMFUHT-UHFFFAOYSA-N
MW445.32 g/mol
LogP3.71
Rot. Bonds7

About ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate

ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate (PubChem CID 50889406) has the molecular formula C18H18Cl2N2O5S and a molecular weight of 445.32 g/mol. Its IUPAC name is ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate
PubChem CID50889406
Molecular FormulaC18H18Cl2N2O5S
Molecular Weight445.32 g/mol
Exact Mass444.03
IUPAC Nameethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate
SMILESCCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C18H18Cl2N2O5S/c1-3-27-17(24)11-22(16-6-4-5-15(19)18(16)20)28(25,26)14-9-7-13(8-10-14)21-12(2)23/h4-10H,3,11H2,1-2H3,(H,21,23)
InChIKeyIYTPOAMBOMFUHT-UHFFFAOYSA-N
XLogP3.71
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetic acid
CID 50889512
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-fluoroanilino)acetate
CID 50889178
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methyl-3-nitroanilino)acetate
CID 100500698
ethyl 2-(2,3-dichloro-N-methylsulfonylanilino)acetate
CID 50892384
ethyl 2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50895722
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate
CID 50889734
methyl 2-(N-(4-acetamidophenyl)sulfonyl-2-methylanilino)acetate
CID 50889081
N-[4-[(2,3-dichlorophenyl)-methylsulfamoyl]phenyl]acetamide
CID 100500965
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)acetyl chloride
CID 50892343
2-(N-(4-acetamidophenyl)sulfonyl-2,6-dichloroanilino)acetic acid
CID 50889394
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide
CID 1298612
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate?
The IUPAC name of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate (CID 50889406) is ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate.
What is the SMILES notation for ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate?
The canonical SMILES for ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate is CCOC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(NC(C)=O)cc1.
What is the InChIKey of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate?
The InChIKey is IYTPOAMBOMFUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O5S/c1-3-27-17(24)11-22(16-6-4-5-15(19)18(16)20)28(25,26)14-9-7-13(8-10-14)21-12(2)23/h4-10H,3,11H2,1-2H3,(H,21,23).
What are the key properties of ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate?
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate has a molecular weight of 445.32 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-(4-acetamidophenyl)sulfonyl-2,3-dichloroanilino)acetate is sourced from PubChem (CID 50889406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).