2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid

C14H14N2O4S — CID 71439747

IUPAC2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-9-8-10(15)6-7-13(9)21(19,20)16-12-5-3-2-4-11(12)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyFVYXUNNSSCFHLM-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.08
Rot. Bonds4

About 2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid

2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid (PubChem CID 71439747) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid
PubChem CID71439747
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid
SMILESCc1cc(N)ccc1S(=O)(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C14H14N2O4S/c1-9-8-10(15)6-7-13(9)21(19,20)16-12-5-3-2-4-11(12)14(17)18/h2-8,16H,15H2,1H3,(H,17,18)
InChIKeyFVYXUNNSSCFHLM-UHFFFAOYSA-N
XLogP2.08
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(4-amino-2-methylphenyl)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

Related Compounds

4-amino-2-methyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43258274
3-[(2,4-dimethylphenyl)sulfonylamino]-2-methylbenzoic acid
CID 166178665
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
N-(4-amino-2-methylphenyl)-4-cyano-2-methylbenzenesulfonamide
CID 106996447
3-[(4-amino-2-methylphenyl)sulfonylamino]benzamide
CID 61107665
2-[(5-amino-2-bromophenyl)sulfonylamino]benzamide
CID 65206664
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
CID 91495824
CID 91495824
4-amino-N-(2,6-dibromophenyl)-2-methylbenzenesulfonamide
CID 107596339
4-amino-2-(phenylsulfamoyl)benzoic acid
CID 102930725

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid (CID 71439747) is 2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid is Cc1cc(N)ccc1S(=O)(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid?
The InChIKey is FVYXUNNSSCFHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c1-9-8-10(15)6-7-13(9)21(19,20)16-12-5-3-2-4-11(12)14(17)18/h2-8,16H,15H2,1H3,(H,17,18).
What are the key properties of 2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid?
2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid has a molecular weight of 306.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-methylphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 71439747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).