4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid

C15H15NO4S — CID 2405940

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C15H15NO4S/c1-10-3-8-14(9-11(10)2)21(19,20)16-13-6-4-12(5-7-13)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyUDOLHJCSMMGKDG-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.80
Rot. Bonds4

About 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid

4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid (PubChem CID 2405940) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid
PubChem CID2405940
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C
InChIInChI=1S/C15H15NO4S/c1-10-3-8-14(9-11(10)2)21(19,20)16-13-6-4-12(5-7-13)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKeyUDOLHJCSMMGKDG-UHFFFAOYSA-N
XLogP2.80
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[(3,4-dimethylphenyl)sulfonylamino]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 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid (CID 2405940) is 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid?
The InChIKey is UDOLHJCSMMGKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-10-3-8-14(9-11(10)2)21(19,20)16-13-6-4-12(5-7-13)15(17)18/h3-9,16H,1-2H3,(H,17,18).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid?
4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 2405940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).