3-[benzyl(methyl)sulfamoyl]benzoic acid

C15H15NO4S — CID 2422970

IUPAC3-[benzyl(methyl)sulfamoyl]benzoic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-16(11-12-6-3-2-4-7-12)21(19,20)14-9-5-8-13(10-14)15(17)18/h2-10H,11H2,1H3,(H,17,18)
InChIKeyHPWVEZVUETXJBO-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.21
Rot. Bonds5

About 3-[benzyl(methyl)sulfamoyl]benzoic acid

3-[benzyl(methyl)sulfamoyl]benzoic acid (PubChem CID 2422970) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]benzoic acid
PubChem CID2422970
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name3-[benzyl(methyl)sulfamoyl]benzoic acid
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H15NO4S/c1-16(11-12-6-3-2-4-7-12)21(19,20)14-9-5-8-13(10-14)15(17)18/h2-10H,11H2,1H3,(H,17,18)
InChIKeyHPWVEZVUETXJBO-UHFFFAOYSA-N
XLogP2.21
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[benzyl(methyl)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-[benzyl(methyl)sulfamoyl]benzoic acid?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]benzoic acid (CID 2422970) is 3-[benzyl(methyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]benzoic acid?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]benzoic acid is CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]benzoic acid?
The InChIKey is HPWVEZVUETXJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-16(11-12-6-3-2-4-7-12)21(19,20)14-9-5-8-13(10-14)15(17)18/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of 3-[benzyl(methyl)sulfamoyl]benzoic acid?
3-[benzyl(methyl)sulfamoyl]benzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 2422970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).