4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid

C20H15NO5S — CID 12938307

IUPAC4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C20H15NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)
InChIKeyFRYYMRSAZOXGSS-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.93
Rot. Bonds5

About 4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid

4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid (PubChem CID 12938307) has the molecular formula C20H15NO5S and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid
PubChem CID12938307
Molecular FormulaC20H15NO5S
Molecular Weight381.41 g/mol
Exact Mass381.07
IUPAC Name4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C20H15NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26)
InChIKeyFRYYMRSAZOXGSS-UHFFFAOYSA-N
XLogP2.93
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid?
The IUPAC name of 4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid (CID 12938307) is 4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid.
What is the SMILES notation for 4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid?
The canonical SMILES for 4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid is NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid?
The InChIKey is FRYYMRSAZOXGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO5S/c21-27(25,26)18-11-9-14(10-12-18)13-1-3-15(4-2-13)19(22)16-5-7-17(8-6-16)20(23)24/h1-12H,(H,23,24)(H2,21,25,26).
What are the key properties of 4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid?
4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid has a molecular weight of 381.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-sulfamoylphenyl)benzoyl]benzoic acid is sourced from PubChem (CID 12938307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).