(2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate

C18H17ClN2O6S — CID 2523778

IUPAC(2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H17ClN2O6S/c1-21(2)28(25,26)13-8-9-15(19)14(10-13)18(24)27-11-16(22)20-17(23)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,20,22,23)
InChIKeyUEHUWGYOVYWUKY-UHFFFAOYSA-N
MW424.86 g/mol
LogP1.70
Rot. Bonds6

About (2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate

(2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate (PubChem CID 2523778) has the molecular formula C18H17ClN2O6S and a molecular weight of 424.86 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
PubChem CID2523778
Molecular FormulaC18H17ClN2O6S
Molecular Weight424.86 g/mol
Exact Mass424.05
IUPAC Name(2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate
SMILESCN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)c2ccccc2)c1
InChIInChI=1S/C18H17ClN2O6S/c1-21(2)28(25,26)13-8-9-15(19)14(10-13)18(24)27-11-16(22)20-17(23)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,20,22,23)
InChIKeyUEHUWGYOVYWUKY-UHFFFAOYSA-N
XLogP1.70
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.86
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524366
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878775
[2-[[(2R)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878774
(2-benzamido-2-oxoethyl) 2-chlorobenzoate
CID 2624247
[2-(2,4-dichloroanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524372
(2-benzamido-2-oxoethyl) 2-methyl-5-methylsulfonylbenzoate
CID 7849505
(2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate
CID 41423260
[2-(2-ethoxyanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523972
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 18075378
[2-(3-fluoroanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2522745
[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2648905
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2523899

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate (CID 2523778) is (2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate is CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)c2ccccc2)c1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate?
The InChIKey is UEHUWGYOVYWUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O6S/c1-21(2)28(25,26)13-8-9-15(19)14(10-13)18(24)27-11-16(22)20-17(23)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,20,22,23).
What are the key properties of (2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate?
(2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate has a molecular weight of 424.86 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2-chloro-5-(dimethylsulfamoyl)benzoate is sourced from PubChem (CID 2523778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).