3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid

C13H18N2O5S — CID 119219576

IUPAC3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C13H18N2O5S/c1-3-15(4-2)21(19,20)9-12(16)14-11-7-5-6-10(8-11)13(17)18/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyLBKWUPZOGYYGLY-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.99
Rot. Bonds7

About 3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid

3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid (PubChem CID 119219576) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid
PubChem CID119219576
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C13H18N2O5S/c1-3-15(4-2)21(19,20)9-12(16)14-11-7-5-6-10(8-11)13(17)18/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyLBKWUPZOGYYGLY-UHFFFAOYSA-N
XLogP0.99
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid
CID 75428809
3-[[butan-2-yl(ethyl)carbamoyl]amino]benzoic acid
CID 61192789
3-[3-(ethylamino)propanoylamino]benzoic acid
CID 62835721
3-[(2-chloroacetyl)amino]benzoic acid;hydrochloride
CID 67825046
3-(4-carboxyoctanoylamino)benzoic acid
CID 5221641
2-(diethylsulfamoyl)-N-thiophen-3-ylacetamide
CID 71984168
3-[(3-amino-3-methylbutanoyl)amino]benzoic acid
CID 64677151
3-(3-ethoxypropanoylamino)benzoic acid
CID 55023446
3-[(4-amino-3-methylbutanoyl)amino]benzoic acid
CID 81087394
3-[(2-tert-butylsulfanylacetyl)amino]benzoic acid
CID 28778973
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
3-[2-(propylsulfonylamino)propanoylamino]benzoic acid
CID 43171891

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid?
The IUPAC name of 3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid (CID 119219576) is 3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid?
The canonical SMILES for 3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid is CCN(CC)S(=O)(=O)CC(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid?
The InChIKey is LBKWUPZOGYYGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-3-15(4-2)21(19,20)9-12(16)14-11-7-5-6-10(8-11)13(17)18/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid?
3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid has a molecular weight of 314.36 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 119219576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).