2-[benzyl(methylsulfonyl)amino]benzoic acid

C15H15NO4S — CID 786773

IUPAC2-[benzyl(methylsulfonyl)amino]benzoic acid
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C15H15NO4S/c1-21(19,20)16(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(17)18/h2-10H,11H2,1H3,(H,17,18)
InChIKeyVHAXDHPAMFQVPQ-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.35
Rot. Bonds5

About 2-[benzyl(methylsulfonyl)amino]benzoic acid

2-[benzyl(methylsulfonyl)amino]benzoic acid (PubChem CID 786773) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]benzoic acid
PubChem CID786773
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name2-[benzyl(methylsulfonyl)amino]benzoic acid
SMILESCS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)O
InChIInChI=1S/C15H15NO4S/c1-21(19,20)16(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(17)18/h2-10H,11H2,1H3,(H,17,18)
InChIKeyVHAXDHPAMFQVPQ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl(methylsulfonyl)amino]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 2-[benzyl(methylsulfonyl)amino]benzoic acid?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]benzoic acid (CID 786773) is 2-[benzyl(methylsulfonyl)amino]benzoic acid.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]benzoic acid?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]benzoic acid is CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)O.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]benzoic acid?
The InChIKey is VHAXDHPAMFQVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-21(19,20)16(11-12-7-3-2-4-8-12)14-10-6-5-9-13(14)15(17)18/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of 2-[benzyl(methylsulfonyl)amino]benzoic acid?
2-[benzyl(methylsulfonyl)amino]benzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]benzoic acid is sourced from PubChem (CID 786773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).