2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid

C15H13NO6S — CID 110454056

IUPAC2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H13NO6S/c17-14(18)9-16-23(21,22)11-7-5-10(6-8-11)12-3-1-2-4-13(12)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20)
InChIKeyKILSCOGIJUVTBU-UHFFFAOYSA-N
MW335.34 g/mol
LogP1.41
Rot. Bonds6

About 2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid

2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid (PubChem CID 110454056) has the molecular formula C15H13NO6S and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid
PubChem CID110454056
Molecular FormulaC15H13NO6S
Molecular Weight335.34 g/mol
Exact Mass335.05
IUPAC Name2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid
SMILESO=C(O)CNS(=O)(=O)c1ccc(-c2ccccc2C(=O)O)cc1
InChIInChI=1S/C15H13NO6S/c17-14(18)9-16-23(21,22)11-7-5-10(6-8-11)12-3-1-2-4-13(12)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20)
InChIKeyKILSCOGIJUVTBU-UHFFFAOYSA-N
XLogP1.41
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-(carboxymethylsulfamoyl)phenyl]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

Related Compounds

2-[(4-pyridin-4-ylphenyl)sulfonylamino]acetic acid
CID 110454054
2-[[4-(2-phenylethynyl)phenyl]sulfonylamino]acetic acid
CID 67588445
2-[(4-phenylphenyl)sulfonylamino]acetate
CID 6953151
2-[[4-[4-(carboxymethylsulfamoyl)phenoxy]phenyl]sulfonylamino]acetic acid
CID 169487948
2-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53218491
2-[(4-ethylphenyl)sulfonylamino]acetic acid
CID 757399
2-[[4-(2-methyl-5-nitrophenyl)phenyl]sulfonylamino]acetic acid
CID 110454051
2-[[4-(3-hydroxyprop-1-enyl)phenyl]sulfonylamino]acetic acid
CID 169454184
2-[[4-(4-pyrazol-1-ylphenyl)phenyl]sulfonylamino]acetic acid
CID 167835860
2-(4-phosphanylphenyl)benzoic acid
CID 58612433
N-[2-(2-chlorophenyl)-2-oxoethyl]benzenesulfonamide
CID 167626658
2-[[4-(1,2,4-trihydroxybutyl)phenyl]sulfonylamino]acetic acid
CID 171873303

Frequently Asked Questions

What is the IUPAC name of 2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid?
The IUPAC name of 2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid (CID 110454056) is 2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid?
The canonical SMILES for 2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid is O=C(O)CNS(=O)(=O)c1ccc(-c2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid?
The InChIKey is KILSCOGIJUVTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO6S/c17-14(18)9-16-23(21,22)11-7-5-10(6-8-11)12-3-1-2-4-13(12)15(19)20/h1-8,16H,9H2,(H,17,18)(H,19,20).
What are the key properties of 2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid?
2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid has a molecular weight of 335.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(carboxymethylsulfamoyl)phenyl]benzoic acid is sourced from PubChem (CID 110454056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).