2-[(4-aminophenyl)sulfonylamino]butanedioic acid

C10H12N2O6S — CID 71945726

IUPAC2-[(4-aminophenyl)sulfonylamino]butanedioic acid
SMILESNc1ccc(S(=O)(=O)NC(CC(=O)O)C(=O)O)cc1
InChIInChI=1S/C10H12N2O6S/c11-6-1-3-7(4-2-6)19(17,18)12-8(10(15)16)5-9(13)14/h1-4,8,12H,5,11H2,(H,13,14)(H,15,16)
InChIKeyBILOYIQVPVFEST-UHFFFAOYSA-N
MW288.28 g/mol
LogP-0.52
Rot. Bonds6

About 2-[(4-aminophenyl)sulfonylamino]butanedioic acid

2-[(4-aminophenyl)sulfonylamino]butanedioic acid (PubChem CID 71945726) has the molecular formula C10H12N2O6S and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[(4-aminophenyl)sulfonylamino]butanedioic acid.

Molecular Properties

Compound Name2-[(4-aminophenyl)sulfonylamino]butanedioic acid
PubChem CID71945726
Molecular FormulaC10H12N2O6S
Molecular Weight288.28 g/mol
Exact Mass288.04
IUPAC Name2-[(4-aminophenyl)sulfonylamino]butanedioic acid
SMILESNc1ccc(S(=O)(=O)NC(CC(=O)O)C(=O)O)cc1
InChIInChI=1S/C10H12N2O6S/c11-6-1-3-7(4-2-6)19(17,18)12-8(10(15)16)5-9(13)14/h1-4,8,12H,5,11H2,(H,13,14)(H,15,16)
InChIKeyBILOYIQVPVFEST-UHFFFAOYSA-N
XLogP-0.52
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 5-0.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(4-aminophenyl)sulfonylamino]butanedioic 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-aminophenyl)sulfonylamino]butanoic acid
CID 71945727
(2R)-4-amino-4-oxo-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 104935181
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)butanedioic acid
CID 112733090
(2R)-2-[(4-aminophenyl)sulfonylamino]-3-phenylpropanoate
CID 6942145
(2S)-2-[(6-cyano-3-pyridinyl)sulfonylamino]butanedioic acid
CID 104935609
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781
(2S)-2-(dibenzofuran-2-ylsulfonylamino)butanedioic acid
CID 141017674
(2S)-2-[(2,4-dichlorophenyl)sulfonylamino]butanedioic acid
CID 154863455
2-(sulfamoylamino)butanedioic acid
CID 114958995
(3R)-3-[(4-chlorophenyl)sulfonylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 90891648
3-chloro-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 21236350
(2S)-2-[(1-methylpyrazol-4-yl)sulfonylamino]butanedioic acid
CID 113226185

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)sulfonylamino]butanedioic acid?
The IUPAC name of 2-[(4-aminophenyl)sulfonylamino]butanedioic acid (CID 71945726) is 2-[(4-aminophenyl)sulfonylamino]butanedioic acid.
What is the SMILES notation for 2-[(4-aminophenyl)sulfonylamino]butanedioic acid?
The canonical SMILES for 2-[(4-aminophenyl)sulfonylamino]butanedioic acid is Nc1ccc(S(=O)(=O)NC(CC(=O)O)C(=O)O)cc1.
What is the InChIKey of 2-[(4-aminophenyl)sulfonylamino]butanedioic acid?
The InChIKey is BILOYIQVPVFEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6S/c11-6-1-3-7(4-2-6)19(17,18)12-8(10(15)16)5-9(13)14/h1-4,8,12H,5,11H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(4-aminophenyl)sulfonylamino]butanedioic acid?
2-[(4-aminophenyl)sulfonylamino]butanedioic acid has a molecular weight of 288.28 g/mol, XLogP of -0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)sulfonylamino]butanedioic acid is sourced from PubChem (CID 71945726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).