2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid

C14H14N2O4S — CID 106523222

IUPAC2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid
SMILESNc1ccccc1S(=O)(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H14N2O4S/c15-12-3-1-2-4-13(12)21(19,20)16-11-7-5-10(6-8-11)9-14(17)18/h1-8,16H,9,15H2,(H,17,18)
InChIKeyFNJDSLVZDWODBZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.70
Rot. Bonds5

About 2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid

2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid (PubChem CID 106523222) has the molecular formula C14H14N2O4S and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid
PubChem CID106523222
Molecular FormulaC14H14N2O4S
Molecular Weight306.34 g/mol
Exact Mass306.07
IUPAC Name2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid
SMILESNc1ccccc1S(=O)(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C14H14N2O4S/c15-12-3-1-2-4-13(12)21(19,20)16-11-7-5-10(6-8-11)9-14(17)18/h1-8,16H,9,15H2,(H,17,18)
InChIKeyFNJDSLVZDWODBZ-UHFFFAOYSA-N
XLogP1.70
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic 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

methyl 4-[(2-aminophenyl)sulfonylamino]benzoate
CID 28590095
2-[4-(2,1,3-benzoxadiazol-4-ylsulfonylamino)phenyl]acetic acid
CID 17374414
N-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide
CID 142036795
2-amino-N-(4-sulfamoylphenyl)benzenesulfonamide;hydrochloride
CID 132988288
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
2-[4-[(4-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 43714781
2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]acetate
CID 7042231
2-[4-[(2,5-dimethylthiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 43238239
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
2-[3-[(2-hydroxyphenyl)sulfonylamino]phenyl]acetic acid
CID 23061993
2-[4-(propylsulfonylamino)phenyl]acetic acid
CID 16786405
2-amino-N-pyrimidin-2-ylbenzenesulfonamide
CID 13015037

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid (CID 106523222) is 2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid is Nc1ccccc1S(=O)(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid?
The InChIKey is FNJDSLVZDWODBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4S/c15-12-3-1-2-4-13(12)21(19,20)16-11-7-5-10(6-8-11)9-14(17)18/h1-8,16H,9,15H2,(H,17,18).
What are the key properties of 2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid?
2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid has a molecular weight of 306.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-aminophenyl)sulfonylamino]phenyl]acetic acid is sourced from PubChem (CID 106523222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).