4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid

C12H16N2O5S — CID 106341849

IUPAC4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-14(2)20(18,19)8-7-13-11(15)9-3-5-10(6-4-9)12(16)17/h3-6H,7-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFIHIIPBVGYOMEE-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.01
Rot. Bonds6

About 4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid

4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid (PubChem CID 106341849) has the molecular formula C12H16N2O5S and a molecular weight of 300.34 g/mol. Its IUPAC name is 4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
PubChem CID106341849
Molecular FormulaC12H16N2O5S
Molecular Weight300.34 g/mol
Exact Mass300.08
IUPAC Name4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid
SMILESCN(C)S(=O)(=O)CCNC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C12H16N2O5S/c1-14(2)20(18,19)8-7-13-11(15)9-3-5-10(6-4-9)12(16)17/h3-6H,7-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFIHIIPBVGYOMEE-UHFFFAOYSA-N
XLogP0.01
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylsulfonylethylcarbamoyl)benzoic acid
CID 103790305
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
6-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 114175120
4-tert-butyl-N-[2-[methyl(phenyl)sulfamoyl]ethyl]benzamide
CID 110287677
4-bromo-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 114175557
4-amino-3-chloro-N-[2-(dimethylsulfamoyl)ethyl]benzamide
CID 106333004
4-[2-(dimethylcarbamoylamino)ethylcarbamoyl]benzoic acid
CID 83115013
N-[2-(dimethylsulfamoyl)ethyl]-4-piperidin-3-ylbenzamide
CID 77084725
4-amino-N-[2-(dimethylsulfamoyl)ethyl]-3-methoxybenzamide
CID 106333049
2-amino-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-carboxamide
CID 106342687
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
N-[2-(dimethylsulfamoyl)ethyl]-2-sulfanylbenzamide
CID 106340126

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid?
The IUPAC name of 4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid (CID 106341849) is 4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid.
What is the SMILES notation for 4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid?
The canonical SMILES for 4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid is CN(C)S(=O)(=O)CCNC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid?
The InChIKey is FIHIIPBVGYOMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S/c1-14(2)20(18,19)8-7-13-11(15)9-3-5-10(6-4-9)12(16)17/h3-6H,7-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid?
4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid has a molecular weight of 300.34 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylsulfamoyl)ethylcarbamoyl]benzoic acid is sourced from PubChem (CID 106341849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).