methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate

C16H14Cl3NO5S — CID 50894816

IUPACmethyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
SMILESCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NO5S/c1-24-15-6-3-10(17)7-14(15)20(9-16(21)25-2)26(22,23)11-4-5-12(18)13(19)8-11/h3-8H,9H2,1-2H3
InChIKeyGSDNXXIVDAIEPB-UHFFFAOYSA-N
MW438.72 g/mol
LogP4.02
Rot. Bonds6

About methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate

methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate (PubChem CID 50894816) has the molecular formula C16H14Cl3NO5S and a molecular weight of 438.72 g/mol. Its IUPAC name is methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
PubChem CID50894816
Molecular FormulaC16H14Cl3NO5S
Molecular Weight438.72 g/mol
Exact Mass436.97
IUPAC Namemethyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
SMILESCOC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H14Cl3NO5S/c1-24-15-6-3-10(17)7-14(15)20(9-16(21)25-2)26(22,23)11-4-5-12(18)13(19)8-11/h3-8H,9H2,1-2H3
InChIKeyGSDNXXIVDAIEPB-UHFFFAOYSA-N
XLogP4.02
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.72
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate
CID 50894846
methyl 2-(4-chloro-N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50890323
2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 23519212
methyl 2-(2-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510771
methyl 2-(5-chloro-2-methoxy-N-thiophen-2-ylsulfonylanilino)acetate
CID 100549387
methyl 2-(3-chloro-N-(3-chloro-4-methoxyphenyl)sulfonylanilino)acetate
CID 100510847
methyl 2-(3-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)acetate
CID 50895551
methyl 2-(N-(3,4-dichlorophenyl)sulfonylanilino)acetate
CID 50889553
2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
CID 999343
2-(5-chloro-2-methoxy-N-naphthalen-2-ylsulfonylanilino)acetic acid
CID 100532770
methyl 2-(2,4-dichloro-N-(4-methylphenyl)sulfonylanilino)acetate
CID 1050006
N-[4-[(5-chloro-2-methoxyphenyl)-(2-hydrazinyl-2-oxoethyl)sulfamoyl]phenyl]acetamide
CID 50889666

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate?
The IUPAC name of methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate (CID 50894816) is methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate.
What is the SMILES notation for methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate?
The canonical SMILES for methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate is COC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate?
The InChIKey is GSDNXXIVDAIEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3NO5S/c1-24-15-6-3-10(17)7-14(15)20(9-16(21)25-2)26(22,23)11-4-5-12(18)13(19)8-11/h3-8H,9H2,1-2H3.
What are the key properties of methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate?
methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate has a molecular weight of 438.72 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-chloro-N-(3,4-dichlorophenyl)sulfonyl-2-methoxyanilino)acetate is sourced from PubChem (CID 50894816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).