[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate

C19H20ClNO5S — CID 7974872

IUPAC[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H20ClNO5S/c1-11-7-12(2)18(13(3)8-11)17(22)10-26-19(23)15-9-14(5-6-16(15)20)27(24,25)21-4/h5-9,21H,10H2,1-4H3
InChIKeyZYJXUIHAINCHGX-UHFFFAOYSA-N
MW409.89 g/mol
LogP3.21
Rot. Bonds6

About [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate (PubChem CID 7974872) has the molecular formula C19H20ClNO5S and a molecular weight of 409.89 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate
PubChem CID7974872
Molecular FormulaC19H20ClNO5S
Molecular Weight409.89 g/mol
Exact Mass409.08
IUPAC Name[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2c(C)cc(C)cc2C)c1
InChIInChI=1S/C19H20ClNO5S/c1-11-7-12(2)18(13(3)8-11)17(22)10-26-19(23)15-9-14(5-6-16(15)20)27(24,25)21-4/h5-9,21H,10H2,1-4H3
InChIKeyZYJXUIHAINCHGX-UHFFFAOYSA-N
XLogP3.21
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.89
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate 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-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975114
[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975123
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-methyl-5-methylsulfonylbenzoate
CID 42981032
[2-(3-methylbutylamino)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974945
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510343
3-(2-bromoacetyl)-4-chloro-N-methylbenzenesulfonamide
CID 20527440
2-chloro-5-(methylsulfamoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713789
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975098
[2-(2,4-dimethylphenyl)-2-oxoethyl] 3-(methylsulfamoyl)benzoate
CID 7854764
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974952
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974913
3-(4-fluorophenoxy)propyl 2-chloro-5-(methylsulfamoyl)benzoate
CID 43056408

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate (CID 7974872) is [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2c(C)cc(C)cc2C)c1.
What is the InChIKey of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
The InChIKey is ZYJXUIHAINCHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5S/c1-11-7-12(2)18(13(3)8-11)17(22)10-26-19(23)15-9-14(5-6-16(15)20)27(24,25)21-4/h5-9,21H,10H2,1-4H3.
What are the key properties of [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate?
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate has a molecular weight of 409.89 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 7974872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).