[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate

C23H28ClNO5S — CID 2510343

IUPAC[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C23H28ClNO5S/c1-7-25(8-2)31(28,29)18-9-10-20(24)19(12-18)23(27)30-13-21(26)22-16(5)14(3)11-15(4)17(22)6/h9-12H,7-8,13H2,1-6H3
InChIKeyKSOFITKZALVPHW-UHFFFAOYSA-N
MW466.00 g/mol
LogP4.64
Rot. Bonds8

About [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate

[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate (PubChem CID 2510343) has the molecular formula C23H28ClNO5S and a molecular weight of 466.00 g/mol. Its IUPAC name is [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
PubChem CID2510343
Molecular FormulaC23H28ClNO5S
Molecular Weight466.00 g/mol
Exact Mass465.14
IUPAC Name[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2c(C)c(C)cc(C)c2C)c1
InChIInChI=1S/C23H28ClNO5S/c1-7-25(8-2)31(28,29)18-9-10-20(24)19(12-18)23(27)30-13-21(26)22-16(5)14(3)11-15(4)17(22)6/h9-12H,7-8,13H2,1-6H3
InChIKeyKSOFITKZALVPHW-UHFFFAOYSA-N
XLogP4.64
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.00
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 7981376
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510081
[2-(1H-indol-3-yl)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2689631
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 5-(diethylsulfamoyl)-2-methylbenzoate
CID 32829104
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 4-(diethylsulfamoyl)benzoate
CID 8000290
[2-(4-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510257
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974872
[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl] 2,5-dichlorobenzoate
CID 2488667
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510318
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510286
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2465525

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The IUPAC name of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate (CID 2510343) is [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The canonical SMILES for [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2c(C)c(C)cc(C)c2C)c1.
What is the InChIKey of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The InChIKey is KSOFITKZALVPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClNO5S/c1-7-25(8-2)31(28,29)18-9-10-20(24)19(12-18)23(27)30-13-21(26)22-16(5)14(3)11-15(4)17(22)6/h9-12H,7-8,13H2,1-6H3.
What are the key properties of [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate?
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate has a molecular weight of 466.00 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-chloro-5-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2510343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).