4-(dibutylsulfamoyl)benzoic acid

C15H23NO4S — CID 11032

IUPAC4-(dibutylsulfamoyl)benzoic acid
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H23NO4S/c1-3-5-11-16(12-6-4-2)21(19,20)14-9-7-13(8-10-14)15(17)18/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)
InChIKeyHLLSOEKIMZEGFV-UHFFFAOYSA-N
MW313.42 g/mol
LogP2.98
Rot. Bonds9

About 4-(dibutylsulfamoyl)benzoic acid

4-(dibutylsulfamoyl)benzoic acid (PubChem CID 11032) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-(dibutylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(dibutylsulfamoyl)benzoic acid
PubChem CID11032
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name4-(dibutylsulfamoyl)benzoic acid
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H23NO4S/c1-3-5-11-16(12-6-4-2)21(19,20)14-9-7-13(8-10-14)15(17)18/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)
InChIKeyHLLSOEKIMZEGFV-UHFFFAOYSA-N
XLogP2.98
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dibutylsulfamoyl)benzoic acid?
The IUPAC name of 4-(dibutylsulfamoyl)benzoic acid (CID 11032) is 4-(dibutylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(dibutylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(dibutylsulfamoyl)benzoic acid is CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-(dibutylsulfamoyl)benzoic acid?
The InChIKey is HLLSOEKIMZEGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-3-5-11-16(12-6-4-2)21(19,20)14-9-7-13(8-10-14)15(17)18/h7-10H,3-6,11-12H2,1-2H3,(H,17,18).
What are the key properties of 4-(dibutylsulfamoyl)benzoic acid?
4-(dibutylsulfamoyl)benzoic acid has a molecular weight of 313.42 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibutylsulfamoyl)benzoic acid is sourced from PubChem (CID 11032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).