4-(4-sulfamoylphenyl)benzoic acid

C13H11NO4S — CID 53426278

IUPAC4-(4-sulfamoylphenyl)benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C13H11NO4S/c14-19(17,18)12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)
InChIKeyWVXCHHVMFRGCEL-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.70
Rot. Bonds3

About 4-(4-sulfamoylphenyl)benzoic acid

4-(4-sulfamoylphenyl)benzoic acid (PubChem CID 53426278) has the molecular formula C13H11NO4S and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-(4-sulfamoylphenyl)benzoic acid.

Molecular Properties

Compound Name4-(4-sulfamoylphenyl)benzoic acid
PubChem CID53426278
Molecular FormulaC13H11NO4S
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name4-(4-sulfamoylphenyl)benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C13H11NO4S/c14-19(17,18)12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)(H2,14,17,18)
InChIKeyWVXCHHVMFRGCEL-UHFFFAOYSA-N
XLogP1.70
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-sulfamoylphenyl)benzoic acid?
The IUPAC name of 4-(4-sulfamoylphenyl)benzoic acid (CID 53426278) is 4-(4-sulfamoylphenyl)benzoic acid.
What is the SMILES notation for 4-(4-sulfamoylphenyl)benzoic acid?
The canonical SMILES for 4-(4-sulfamoylphenyl)benzoic acid is NS(=O)(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-(4-sulfamoylphenyl)benzoic acid?
The InChIKey is WVXCHHVMFRGCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4S/c14-19(17,18)12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)(H2,14,17,18).
What are the key properties of 4-(4-sulfamoylphenyl)benzoic acid?
4-(4-sulfamoylphenyl)benzoic acid has a molecular weight of 277.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-sulfamoylphenyl)benzoic acid is sourced from PubChem (CID 53426278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).