3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid

C11H16N2O4S — CID 106342831

IUPAC3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid
SMILESCN(C)S(=O)(=O)CCNc1cccc(C(=O)O)c1
InChIInChI=1S/C11H16N2O4S/c1-13(2)18(16,17)7-6-12-10-5-3-4-9(8-10)11(14)15/h3-5,8,12H,6-7H2,1-2H3,(H,14,15)
InChIKeyRPRIHOKCMXVMKA-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.69
Rot. Bonds6

About 3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid

3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid (PubChem CID 106342831) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid.

Molecular Properties

Compound Name3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid
PubChem CID106342831
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid
SMILESCN(C)S(=O)(=O)CCNc1cccc(C(=O)O)c1
InChIInChI=1S/C11H16N2O4S/c1-13(2)18(16,17)7-6-12-10-5-3-4-9(8-10)11(14)15/h3-5,8,12H,6-7H2,1-2H3,(H,14,15)
InChIKeyRPRIHOKCMXVMKA-UHFFFAOYSA-N
XLogP0.69
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(ethylsulfamoyl)ethylamino]benzoic acid
CID 106342809
3-(methylsulfonylmethylamino)benzoic acid
CID 68815004
3-[4-[methyl(propan-2-yl)amino]butylamino]benzoic acid
CID 102822571
2-[2-[2-(dimethylsulfamoyl)ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70742287
3-[3-(2-chloroethylsulfonyl)propylamino]benzoic acid
CID 54086500
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
3-(3-hydroxybutylamino)benzoic acid
CID 102823082
3-[(2-methyl-2-methylsulfonylpropyl)amino]benzoic acid
CID 102823160
3-(2-methylsulfinylethylamino)benzoic acid
CID 102823367
3-(2-phenylethylamino)benzoic acid
CID 43139401
3-(2-ethoxyethylamino)benzoic acid
CID 102822375
3-(5-hydroxypentylamino)benzoic acid
CID 107319684

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid?
The IUPAC name of 3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid (CID 106342831) is 3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid.
What is the SMILES notation for 3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid?
The canonical SMILES for 3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid is CN(C)S(=O)(=O)CCNc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid?
The InChIKey is RPRIHOKCMXVMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-13(2)18(16,17)7-6-12-10-5-3-4-9(8-10)11(14)15/h3-5,8,12H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid?
3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid has a molecular weight of 272.33 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylsulfamoyl)ethylamino]benzoic acid is sourced from PubChem (CID 106342831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).