[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate

C13H17ClN2O6S — CID 3985158

IUPAC[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C13H17ClN2O6S/c1-16(2)23(19,20)9-4-5-10(14)11(6-9)15-12(17)7-22-13(18)8-21-3/h4-6H,7-8H2,1-3H3,(H,15,17)
InChIKeyWGIRYBOXAAUVMD-UHFFFAOYSA-N
MW364.81 g/mol
LogP0.72
Rot. Bonds7

About [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate

[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate (PubChem CID 3985158) has the molecular formula C13H17ClN2O6S and a molecular weight of 364.81 g/mol. Its IUPAC name is [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
PubChem CID3985158
Molecular FormulaC13H17ClN2O6S
Molecular Weight364.81 g/mol
Exact Mass364.05
IUPAC Name[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C13H17ClN2O6S/c1-16(2)23(19,20)9-4-5-10(14)11(6-9)15-12(17)7-22-13(18)8-21-3/h4-6H,7-8H2,1-3H3,(H,15,17)
InChIKeyWGIRYBOXAAUVMD-UHFFFAOYSA-N
XLogP0.72
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.81
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 4611431
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 3513683
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 98261368
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7419173
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 7817850
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524372
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-propan-2-ylazanium
CID 8867441
[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-(2-chlorophenyl)sulfanylacetate
CID 42976920
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 5097926
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
CID 21339599
tert-butyl-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]azanium
CID 8904455
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 4072184

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate?
The IUPAC name of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate (CID 3985158) is [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate.
What is the SMILES notation for [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate?
The canonical SMILES for [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate is COCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate?
The InChIKey is WGIRYBOXAAUVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O6S/c1-16(2)23(19,20)9-4-5-10(14)11(6-9)15-12(17)7-22-13(18)8-21-3/h4-6H,7-8H2,1-3H3,(H,15,17).
What are the key properties of [2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate?
[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-methoxyacetate has a molecular weight of 364.81 g/mol, XLogP of 0.72, 7 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-methoxyacetate is sourced from PubChem (CID 3985158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).