[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate

C11H13ClN2O5S — CID 7823641

IUPAC[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1
InChIInChI=1S/C11H13ClN2O5S/c1-13-10(15)6-19-11(16)7-3-4-8(12)9(5-7)20(17,18)14-2/h3-5,14H,6H2,1-2H3,(H,13,15)
InChIKeyRHVBVGJAZIRNOW-UHFFFAOYSA-N
MW320.75 g/mol
LogP0.15
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate

[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate (PubChem CID 7823641) has the molecular formula C11H13ClN2O5S and a molecular weight of 320.75 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
PubChem CID7823641
Molecular FormulaC11H13ClN2O5S
Molecular Weight320.75 g/mol
Exact Mass320.02
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1
InChIInChI=1S/C11H13ClN2O5S/c1-13-10(15)6-19-11(16)7-3-4-8(12)9(5-7)20(17,18)14-2/h3-5,14H,6H2,1-2H3,(H,13,15)
InChIKeyRHVBVGJAZIRNOW-UHFFFAOYSA-N
XLogP0.15
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 27027293
(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823722
[2-(4-fluoroanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823723
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823745
cyanomethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331722
[2-(2-acetylanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 30104288
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 16600981
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823611
[2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823612
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823706
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823627

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate (CID 7823641) is [2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate is CNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
The InChIKey is RHVBVGJAZIRNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O5S/c1-13-10(15)6-19-11(16)7-3-4-8(12)9(5-7)20(17,18)14-2/h3-5,14H,6H2,1-2H3,(H,13,15).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate?
[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate has a molecular weight of 320.75 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 7823641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).