[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

C18H17Cl3N2O5S — CID 3258848

IUPAC[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C18H17Cl3N2O5S/c1-23(2)29(26,27)16-9-13(5-6-14(16)20)22-17(24)10-28-18(25)7-11-3-4-12(19)8-15(11)21/h3-6,8-9H,7,10H2,1-2H3,(H,22,24)
InChIKeyUPZZBCDBMKMOQU-UHFFFAOYSA-N
MW479.77 g/mol
LogP3.62
Rot. Bonds7

About [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate

[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (PubChem CID 3258848) has the molecular formula C18H17Cl3N2O5S and a molecular weight of 479.77 g/mol. Its IUPAC name is [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
PubChem CID3258848
Molecular FormulaC18H17Cl3N2O5S
Molecular Weight479.77 g/mol
Exact Mass477.99
IUPAC Name[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl
InChIInChI=1S/C18H17Cl3N2O5S/c1-23(2)29(26,27)16-9-13(5-6-14(16)20)22-17(24)10-28-18(25)7-11-3-4-12(19)8-15(11)21/h3-6,8-9H,7,10H2,1-2H3,(H,22,24)
InChIKeyUPZZBCDBMKMOQU-UHFFFAOYSA-N
XLogP3.62
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.77
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (CID 3258848) is [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)ccc1Cl.
What is the InChIKey of [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The InChIKey is UPZZBCDBMKMOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl3N2O5S/c1-23(2)29(26,27)16-9-13(5-6-14(16)20)22-17(24)10-28-18(25)7-11-3-4-12(19)8-15(11)21/h3-6,8-9H,7,10H2,1-2H3,(H,22,24).
What are the key properties of [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate has a molecular weight of 479.77 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 3258848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).