ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate

C17H16Cl3NO4S — CID 50895540

IUPACethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Cl)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl3NO4S/c1-3-25-17(22)10-21(13-5-7-14(19)11(2)8-13)26(23,24)16-9-12(18)4-6-15(16)20/h4-9H,3,10H2,1-2H3
InChIKeyZUDUMWZQBKKXBR-UHFFFAOYSA-N
MW436.74 g/mol
LogP4.71
Rot. Bonds6

About ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate

ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate (PubChem CID 50895540) has the molecular formula C17H16Cl3NO4S and a molecular weight of 436.74 g/mol. Its IUPAC name is ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
PubChem CID50895540
Molecular FormulaC17H16Cl3NO4S
Molecular Weight436.74 g/mol
Exact Mass434.99
IUPAC Nameethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(Cl)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H16Cl3NO4S/c1-3-25-17(22)10-21(13-5-7-14(19)11(2)8-13)26(23,24)16-9-12(18)4-6-15(16)20/h4-9H,3,10H2,1-2H3
InChIKeyZUDUMWZQBKKXBR-UHFFFAOYSA-N
XLogP4.71
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.74
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-chloro-N-(2,5-dichlorophenyl)sulfonyl-4-methylanilino)acetate
CID 100508031
2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetyl chloride
CID 50895573
ethyl 2-[N-(2,5-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]acetate
CID 50893125
ethyl 2-(4-chloro-N-(4-fluorophenyl)sulfonyl-3-methylanilino)acetate
CID 50895637
ethyl 2-(N-(4-acetamidophenyl)sulfonyl-4-chloro-3-methylanilino)acetate
CID 50889734
ethyl 2-chloro-5-[(2,5-dichlorophenyl)sulfonyl-ethylamino]benzoate
CID 100509655
propan-2-yl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50890211
ethyl 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50890111
ethyl 2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetate
CID 2219448
2-(N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetamide
CID 50889999
ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate
CID 100507054
5-[carboxymethyl-(2,5-dichlorophenyl)sulfonylamino]-2-chlorobenzoic acid
CID 50894659

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate?
The IUPAC name of ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate (CID 50895540) is ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate?
The canonical SMILES for ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate is CCOC(=O)CN(c1ccc(Cl)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate?
The InChIKey is ZUDUMWZQBKKXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO4S/c1-3-25-17(22)10-21(13-5-7-14(19)11(2)8-13)26(23,24)16-9-12(18)4-6-15(16)20/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate?
ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate has a molecular weight of 436.74 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonyl-3-methylanilino)acetate is sourced from PubChem (CID 50895540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).