methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate

C15H11Cl4NO4S — CID 50892663

IUPACmethyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl4NO4S/c1-24-15(21)8-20(13-5-3-9(16)6-12(13)19)25(22,23)14-7-10(17)2-4-11(14)18/h2-7H,8H2,1H3
InChIKeyFAQJGOFZZALENI-UHFFFAOYSA-N
MW443.14 g/mol
LogP4.67
Rot. Bonds5

About methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate

methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate (PubChem CID 50892663) has the molecular formula C15H11Cl4NO4S and a molecular weight of 443.14 g/mol. Its IUPAC name is methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
PubChem CID50892663
Molecular FormulaC15H11Cl4NO4S
Molecular Weight443.14 g/mol
Exact Mass440.92
IUPAC Namemethyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
SMILESCOC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H11Cl4NO4S/c1-24-15(21)8-20(13-5-3-9(16)6-12(13)19)25(22,23)14-7-10(17)2-4-11(14)18/h2-7H,8H2,1H3
InChIKeyFAQJGOFZZALENI-UHFFFAOYSA-N
XLogP4.67
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.14
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetyl chloride
CID 50892681
methyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 1050006
ethyl 2-[(2,5-dichlorophenyl)sulfonyl-(2-methoxy-2-oxoethyl)amino]benzoate
CID 100507054
propan-2-yl 2-(4-chloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate
CID 50890211
2-(N-(2,5-dichlorophenyl)sulfonyl-2,4-dimethoxyanilino)acetyl chloride
CID 50894987
ethyl 2-(2,4-dichloro-N-(4-chlorophenyl)sulfonylanilino)acetate
CID 50892167
4-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)butanoic acid
CID 50892700
methyl 2-(N-(2,5-dichlorophenyl)sulfonyl-3-prop-2-enoxyanilino)acetate
CID 50894710
2-(2,4,5-trichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetamide
CID 50895755
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894816
methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50890323
ethyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 50892222

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate?
The IUPAC name of methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate (CID 50892663) is methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate.
What is the SMILES notation for methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate?
The canonical SMILES for methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate is COC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate?
The InChIKey is FAQJGOFZZALENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4NO4S/c1-24-15(21)8-20(13-5-3-9(16)6-12(13)19)25(22,23)14-7-10(17)2-4-11(14)18/h2-7H,8H2,1H3.
What are the key properties of methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate?
methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate has a molecular weight of 443.14 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dichloro-N-(2,5-dichlorophenyl)sulfonylanilino)acetate is sourced from PubChem (CID 50892663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).