[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate

C17H16ClNO6S — CID 8982597

IUPAC[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESCS(=O)(=O)c1cccc(NC(=O)COC(=O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO6S/c1-26(22,23)15-7-3-5-13(9-15)19-16(20)10-25-17(21)11-24-14-6-2-4-12(18)8-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyRAAZJNZUPHGLQH-UHFFFAOYSA-N
MW397.84 g/mol
LogP2.30
Rot. Bonds7

About [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate

[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate (PubChem CID 8982597) has the molecular formula C17H16ClNO6S and a molecular weight of 397.84 g/mol. Its IUPAC name is [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
PubChem CID8982597
Molecular FormulaC17H16ClNO6S
Molecular Weight397.84 g/mol
Exact Mass397.04
IUPAC Name[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESCS(=O)(=O)c1cccc(NC(=O)COC(=O)COc2cccc(Cl)c2)c1
InChIInChI=1S/C17H16ClNO6S/c1-26(22,23)15-7-3-5-13(9-15)19-16(20)10-25-17(21)11-24-14-6-2-4-12(18)8-14/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyRAAZJNZUPHGLQH-UHFFFAOYSA-N
XLogP2.30
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803920
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
[2-(3-chloroanilino)-2-oxoethyl] 2-(4-ethoxyphenoxy)acetate
CID 7274004
2-(3-acetamidophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9354192
N-(3-methylsulfonylphenyl)-2-phenoxyacetamide
CID 26722723
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 16512644
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 40564745
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(2-propoxyphenoxy)acetate
CID 8741259
[2-(3-chloroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 4803026
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803943
propyl 4-[[2-[2-(3-chlorophenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7803729

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The IUPAC name of [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate (CID 8982597) is [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The canonical SMILES for [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate is CS(=O)(=O)c1cccc(NC(=O)COC(=O)COc2cccc(Cl)c2)c1.
What is the InChIKey of [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The InChIKey is RAAZJNZUPHGLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO6S/c1-26(22,23)15-7-3-5-13(9-15)19-16(20)10-25-17(21)11-24-14-6-2-4-12(18)8-14/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
[2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate has a molecular weight of 397.84 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylsulfonylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 8982597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).