2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid

C11H16N2O4S — CID 106339855

IUPAC2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid
SMILESCNS(=O)(=O)CCNc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C11H16N2O4S/c1-8-7-9(3-4-10(8)11(14)15)13-5-6-18(16,17)12-2/h3-4,7,12-13H,5-6H2,1-2H3,(H,14,15)
InChIKeyWGVVMGJSZASGMM-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.65
Rot. Bonds6

About 2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid

2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid (PubChem CID 106339855) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid
PubChem CID106339855
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid
SMILESCNS(=O)(=O)CCNc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C11H16N2O4S/c1-8-7-9(3-4-10(8)11(14)15)13-5-6-18(16,17)12-2/h3-4,7,12-13H,5-6H2,1-2H3,(H,14,15)
InChIKeyWGVVMGJSZASGMM-UHFFFAOYSA-N
XLogP0.65
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(3,3,3-trifluoropropylamino)benzoic acid
CID 81281565
4-(2,2-difluoroethylamino)-2-methylbenzoic acid
CID 115408718
4-[2-(dimethylcarbamoylamino)ethylamino]-2-methylbenzoic acid
CID 113400031
2-methyl-4-(2-pyrrolidin-1-ylethylamino)benzoic acid
CID 81282265
2-bromo-4-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 114176009
4-[3-(diethylamino)propylamino]-2-methylbenzoic acid
CID 81281767
5-bromo-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 106342777
2-methyl-4-(3-phenoxypropylamino)benzoic acid
CID 81273769
2-methyl-4-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]benzoic acid
CID 81282456
4-[(3-hydroxy-2,2-dimethylpropyl)amino]-2-methylbenzoic acid
CID 115363246
2-methyl-4-[(3-methyl-2-propan-2-ylbutyl)amino]benzoic acid
CID 102906578
3-fluoro-2-[2-(methylsulfamoyl)ethylamino]benzoic acid
CID 114175610

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The IUPAC name of 2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid (CID 106339855) is 2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid.
What is the SMILES notation for 2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The canonical SMILES for 2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid is CNS(=O)(=O)CCNc1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid?
The InChIKey is WGVVMGJSZASGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-8-7-9(3-4-10(8)11(14)15)13-5-6-18(16,17)12-2/h3-4,7,12-13H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid?
2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(methylsulfamoyl)ethylamino]benzoic acid is sourced from PubChem (CID 106339855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).