4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid

C20H17NO4S — CID 122194782

IUPAC4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2ccc(Cc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C20H17NO4S/c21-26(24,25)19-11-9-17(10-12-19)16-5-1-14(2-6-16)13-15-3-7-18(8-4-15)20(22)23/h1-12H,13H2,(H,22,23)(H2,21,24,25)
InChIKeyPFJSFJUTXSUOTN-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.29
Rot. Bonds5

About 4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid

4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid (PubChem CID 122194782) has the molecular formula C20H17NO4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid
PubChem CID122194782
Molecular FormulaC20H17NO4S
Molecular Weight367.43 g/mol
Exact Mass367.09
IUPAC Name4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid
SMILESNS(=O)(=O)c1ccc(-c2ccc(Cc3ccc(C(=O)O)cc3)cc2)cc1
InChIInChI=1S/C20H17NO4S/c21-26(24,25)19-11-9-17(10-12-19)16-5-1-14(2-6-16)13-15-3-7-18(8-4-15)20(22)23/h1-12H,13H2,(H,22,23)(H2,21,24,25)
InChIKeyPFJSFJUTXSUOTN-UHFFFAOYSA-N
XLogP3.29
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,2-dimethylpropanoyl)benzenesulfonamide;4-sulfamoylbenzoic acid
CID 159148470
4-(N-(4-sulfamoylphenyl)anilino)benzoic acid
CID 174477700
4-[5-(4-sulfamoylphenyl)-1H-pyrazol-4-yl]benzoic acid
CID 19355278
methyl 4-(4-sulfamoylphenyl)benzoate
CID 122194771
pyridine-4-carboxamide;4-sulfamoylbenzoic acid
CID 139186564
4-sulfamoylbenzoyl iodide
CID 88945846
4-(4-carboxyphenyl)sulfonylbenzoic acid;guanidine
CID 67856213
4-benzoylbenzenesulfonamide
CID 70209200
N-methyl-2-(4-sulfamoylphenyl)acetamide
CID 43363710
4-[(4-methylphenyl)methylsulfonyl]benzoic acid
CID 24705378
potassium 4-sulfamoylbenzoate
CID 23684074
4-propanoylbenzenesulfonamide
CID 70209431

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid?
The IUPAC name of 4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid (CID 122194782) is 4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid.
What is the SMILES notation for 4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid?
The canonical SMILES for 4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid is NS(=O)(=O)c1ccc(-c2ccc(Cc3ccc(C(=O)O)cc3)cc2)cc1.
What is the InChIKey of 4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid?
The InChIKey is PFJSFJUTXSUOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4S/c21-26(24,25)19-11-9-17(10-12-19)16-5-1-14(2-6-16)13-15-3-7-18(8-4-15)20(22)23/h1-12H,13H2,(H,22,23)(H2,21,24,25).
What are the key properties of 4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid?
4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid has a molecular weight of 367.43 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-sulfamoylphenyl)phenyl]methyl]benzoic acid is sourced from PubChem (CID 122194782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).