4-(diethylsulfamoyl)benzoic acid

C11H15NO4S — CID 14604

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IUPAC4-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyUACOQEQOBAQRDQ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.42
Rot. Bonds5

About 4-(diethylsulfamoyl)benzoic acid

4-(diethylsulfamoyl)benzoic acid (PubChem CID 14604) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(diethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(diethylsulfamoyl)benzoic acid
PubChem CID14604
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name4-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyUACOQEQOBAQRDQ-UHFFFAOYSA-N
XLogP1.42
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylsulfamoyl)benzoic acid?
The IUPAC name of 4-(diethylsulfamoyl)benzoic acid (CID 14604) is 4-(diethylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(diethylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(diethylsulfamoyl)benzoic acid is CCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(diethylsulfamoyl)benzoic acid?
The InChIKey is UACOQEQOBAQRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-9(6-8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-(diethylsulfamoyl)benzoic acid?
4-(diethylsulfamoyl)benzoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylsulfamoyl)benzoic acid is sourced from PubChem (CID 14604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).