3-(diethylsulfamoyl)benzoic acid

C11H15NO4S — CID 794595

IUPAC3-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyBIXIGFOEUQAXDL-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.42
Rot. Bonds5

About 3-(diethylsulfamoyl)benzoic acid

3-(diethylsulfamoyl)benzoic acid (PubChem CID 794595) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-(diethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(diethylsulfamoyl)benzoic acid
PubChem CID794595
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name3-(diethylsulfamoyl)benzoic acid
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyBIXIGFOEUQAXDL-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 3-(diethylsulfamoyl)benzoic acid?
The IUPAC name of 3-(diethylsulfamoyl)benzoic acid (CID 794595) is 3-(diethylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(diethylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(diethylsulfamoyl)benzoic acid is CCN(CC)S(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-(diethylsulfamoyl)benzoic acid?
The InChIKey is BIXIGFOEUQAXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-3-12(4-2)17(15,16)10-7-5-6-9(8-10)11(13)14/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 3-(diethylsulfamoyl)benzoic acid?
3-(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 3-(diethylsulfamoyl)benzoic acid is sourced from PubChem (CID 794595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).