4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid

C12H16N2O5S — CID 43215458

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-13(2)11(15)8-14(3)20(18,19)10-6-4-9(5-7-10)12(16)17/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyZOLOKIUZIRQOAR-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.09
Rot. Bonds5

About 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid

4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid (PubChem CID 43215458) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
PubChem CID43215458
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid
SMILESCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-13(2)11(15)8-14(3)20(18,19)10-6-4-9(5-7-10)12(16)17/h4-7H,8H2,1-3H3,(H,16,17)
InChIKeyZOLOKIUZIRQOAR-UHFFFAOYSA-N
XLogP0.09
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]-2-methylbenzoic acid
CID 43215455
4-[methyl(2-methylpropyl)sulfamoyl]benzoic acid
CID 43271840
2-[[4-(cyanomethyl)phenyl]sulfonyl-methylamino]-N,N-dimethylacetamide
CID 79186471
4-[cyclopropylmethyl(methyl)sulfamoyl]benzoic acid
CID 60952032
N-[2-(dimethylamino)-2-oxoethyl]-4-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227038
2-[(4-carbamothioyl-3-methylphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 106920031
2-[(3-amino-4-chlorophenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 43374844
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
4-acetyl-N-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 115776811
2-[(4-butanoylphenyl)sulfonyl-methylamino]acetic acid
CID 82164598
2-[(3-carbamothioylphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 43375348
ethyl 2-[(4-acetylphenyl)sulfonyl-methylamino]acetate
CID 60731070

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid (CID 43215458) is 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid is CN(C)C(=O)CN(C)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid?
The InChIKey is ZOLOKIUZIRQOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-13(2)11(15)8-14(3)20(18,19)10-6-4-9(5-7-10)12(16)17/h4-7H,8H2,1-3H3,(H,16,17).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid?
4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]-methylsulfamoyl]benzoic acid is sourced from PubChem (CID 43215458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).