4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid

C15H15NO5S — CID 2360199

IUPAC4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H15NO5S/c1-16(13-5-3-4-6-14(13)21-2)22(19,20)12-9-7-11(8-10-12)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyWHFXZFJUARIBKP-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.22
Rot. Bonds5

About 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid

4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid (PubChem CID 2360199) has the molecular formula C15H15NO5S and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid
PubChem CID2360199
Molecular FormulaC15H15NO5S
Molecular Weight321.35 g/mol
Exact Mass321.07
IUPAC Name4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid
SMILESCOc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H15NO5S/c1-16(13-5-3-4-6-14(13)21-2)22(19,20)12-9-7-11(8-10-12)15(17)18/h3-10H,1-2H3,(H,17,18)
InChIKeyWHFXZFJUARIBKP-UHFFFAOYSA-N
XLogP2.22
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(2-methoxyphenyl)-methylsulfamoyl]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-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid?
The IUPAC name of 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid (CID 2360199) is 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid.
What is the SMILES notation for 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid?
The canonical SMILES for 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid is COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid?
The InChIKey is WHFXZFJUARIBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S/c1-16(13-5-3-4-6-14(13)21-2)22(19,20)12-9-7-11(8-10-12)15(17)18/h3-10H,1-2H3,(H,17,18).
What are the key properties of 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid?
4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid has a molecular weight of 321.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid is sourced from PubChem (CID 2360199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).