4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid

C13H18N2O5S — CID 75428809

IUPAC4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H18N2O5S/c1-3-15(4-2)21(19,20)9-12(16)14-11-7-5-10(6-8-11)13(17)18/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyCWGYEVBKZKEXSH-UHFFFAOYSA-N
MW314.36 g/mol
LogP0.99
Rot. Bonds7

About 4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid

4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid (PubChem CID 75428809) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid
PubChem CID75428809
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid
SMILESCCN(CC)S(=O)(=O)CC(=O)Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C13H18N2O5S/c1-3-15(4-2)21(19,20)9-12(16)14-11-7-5-10(6-8-11)13(17)18/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyCWGYEVBKZKEXSH-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

3-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid
CID 119219576
4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 60693118
3-[4-[[2-(diethylsulfamoyl)acetyl]amino]phenyl]propanoic acid
CID 119252347
2-(diethylsulfamoyl)-N-thiophen-3-ylacetamide
CID 71984168
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
4-[[5-(diethylamino)-5-oxopentanoyl]amino]benzoic acid
CID 119177704
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
4-[[4-(3-methylbutanoylamino)phenyl]sulfamoyl]benzoic acid
CID 55542289
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[4-(diethylsulfamoyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 9415960
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628
4-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]benzoic acid
CID 58392578

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid (CID 75428809) is 4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid is CCN(CC)S(=O)(=O)CC(=O)Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid?
The InChIKey is CWGYEVBKZKEXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-3-15(4-2)21(19,20)9-12(16)14-11-7-5-10(6-8-11)13(17)18/h5-8H,3-4,9H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid?
4-[[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 4-[[2-(diethylsulfamoyl)acetyl]amino]benzoic acid is sourced from PubChem (CID 75428809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).