3-[(2-phenylphenyl)sulfamoyl]benzoic acid

C19H15NO4S — CID 2095484

IUPAC3-[(2-phenylphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C19H15NO4S/c21-19(22)15-9-6-10-16(13-15)25(23,24)20-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,20H,(H,21,22)
InChIKeyLVDGNNPNKCSKFC-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.85
Rot. Bonds5

About 3-[(2-phenylphenyl)sulfamoyl]benzoic acid

3-[(2-phenylphenyl)sulfamoyl]benzoic acid (PubChem CID 2095484) has the molecular formula C19H15NO4S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-[(2-phenylphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-phenylphenyl)sulfamoyl]benzoic acid
PubChem CID2095484
Molecular FormulaC19H15NO4S
Molecular Weight353.40 g/mol
Exact Mass353.07
IUPAC Name3-[(2-phenylphenyl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1
InChIInChI=1S/C19H15NO4S/c21-19(22)15-9-6-10-16(13-15)25(23,24)20-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,20H,(H,21,22)
InChIKeyLVDGNNPNKCSKFC-UHFFFAOYSA-N
XLogP3.85
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2-phenylphenyl)sulfamoyl]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

Frequently Asked Questions

What is the IUPAC name of 3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[(2-phenylphenyl)sulfamoyl]benzoic acid (CID 2095484) is 3-[(2-phenylphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[(2-phenylphenyl)sulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1.
What is the InChIKey of 3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
The InChIKey is LVDGNNPNKCSKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4S/c21-19(22)15-9-6-10-16(13-15)25(23,24)20-18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,20H,(H,21,22).
What are the key properties of 3-[(2-phenylphenyl)sulfamoyl]benzoic acid?
3-[(2-phenylphenyl)sulfamoyl]benzoic acid has a molecular weight of 353.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-phenylphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2095484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).