[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

C18H17Cl3N2O6S — CID 4611431

IUPAC[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl3N2O6S/c1-23(2)30(26,27)12-4-5-13(20)15(8-12)22-17(24)9-29-18(25)10-28-16-6-3-11(19)7-14(16)21/h3-8H,9-10H2,1-2H3,(H,22,24)
InChIKeyGQTJMKIMJJUITP-UHFFFAOYSA-N
MW495.77 g/mol
LogP3.46
Rot. Bonds8

About [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 4611431) has the molecular formula C18H17Cl3N2O6S and a molecular weight of 495.77 g/mol. Its IUPAC name is [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID4611431
Molecular FormulaC18H17Cl3N2O6S
Molecular Weight495.77 g/mol
Exact Mass493.99
IUPAC Name[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H17Cl3N2O6S/c1-23(2)30(26,27)12-4-5-13(20)15(8-12)22-17(24)9-29-18(25)10-28-16-6-3-11(19)7-14(16)21/h3-8H,9-10H2,1-2H3,(H,22,24)
InChIKeyGQTJMKIMJJUITP-UHFFFAOYSA-N
XLogP3.46
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.77
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)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

[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
CID 3985158
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524372
[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 2-(2-methoxy-4-methylphenoxy)acetate
CID 30033969
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2433678
[2-(3,4-dichloroanilino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 1349237
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7817850
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854137
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7729248
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 3599814
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2378781
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 3513683

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (CID 4611431) is [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is GQTJMKIMJJUITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O6S/c1-23(2)30(26,27)12-4-5-13(20)15(8-12)22-17(24)9-29-18(25)10-28-16-6-3-11(19)7-14(16)21/h3-8H,9-10H2,1-2H3,(H,22,24).
What are the key properties of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 495.77 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 4611431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).