4-(dibenzylsulfamoyl)benzoic acid

C21H19NO4S — CID 4552362

IUPAC4-(dibenzylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H19NO4S/c23-21(24)19-11-13-20(14-12-19)27(25,26)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,23,24)
InChIKeyAYAKDXHPTOEADO-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.78
Rot. Bonds7

About 4-(dibenzylsulfamoyl)benzoic acid

4-(dibenzylsulfamoyl)benzoic acid (PubChem CID 4552362) has the molecular formula C21H19NO4S and a molecular weight of 381.45 g/mol. Its IUPAC name is 4-(dibenzylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name4-(dibenzylsulfamoyl)benzoic acid
PubChem CID4552362
Molecular FormulaC21H19NO4S
Molecular Weight381.45 g/mol
Exact Mass381.10
IUPAC Name4-(dibenzylsulfamoyl)benzoic acid
SMILESO=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C21H19NO4S/c23-21(24)19-11-13-20(14-12-19)27(25,26)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,23,24)
InChIKeyAYAKDXHPTOEADO-UHFFFAOYSA-N
XLogP3.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylsulfamoyl)benzoic acid?
The IUPAC name of 4-(dibenzylsulfamoyl)benzoic acid (CID 4552362) is 4-(dibenzylsulfamoyl)benzoic acid.
What is the SMILES notation for 4-(dibenzylsulfamoyl)benzoic acid?
The canonical SMILES for 4-(dibenzylsulfamoyl)benzoic acid is O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of 4-(dibenzylsulfamoyl)benzoic acid?
The InChIKey is AYAKDXHPTOEADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4S/c23-21(24)19-11-13-20(14-12-19)27(25,26)22(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,23,24).
What are the key properties of 4-(dibenzylsulfamoyl)benzoic acid?
4-(dibenzylsulfamoyl)benzoic acid has a molecular weight of 381.45 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dibenzylsulfamoyl)benzoic acid is sourced from PubChem (CID 4552362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).