sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate

C9H12NNaO3STe — CID 139264896

IUPACsodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate
SMILESNc1ccc([Te]CCCS(=O)(=O)[O-])cc1.[Na+]
InChIInChI=1S/C9H13NO3STe.Na/c10-8-2-4-9(5-3-8)15-7-1-6-14(11,12)13;/h2-5H,1,6-7,10H2,(H,11,12,13);/q;+1/p-1
InChIKeyJWLDWXZVBRQVIF-UHFFFAOYSA-M
MW364.86 g/mol
LogP-3.04
Rot. Bonds5

About sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate

sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate (PubChem CID 139264896) has the molecular formula C9H12NNaO3STe and a molecular weight of 364.86 g/mol. Its IUPAC name is sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate.

Molecular Properties

Compound Namesodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate
PubChem CID139264896
Molecular FormulaC9H12NNaO3STe
Molecular Weight364.86 g/mol
Exact Mass366.95
IUPAC Namesodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate
SMILESNc1ccc([Te]CCCS(=O)(=O)[O-])cc1.[Na+]
InChIInChI=1S/C9H13NO3STe.Na/c10-8-2-4-9(5-3-8)15-7-1-6-14(11,12)13;/h2-5H,1,6-7,10H2,(H,11,12,13);/q;+1/p-1
InChIKeyJWLDWXZVBRQVIF-UHFFFAOYSA-M
XLogP-3.04
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.86
LogP ≤ 5-3.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate 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

3-(2,6-dimethylphenyl)tellanylpropane-1-sulfonate
CID 139265776
disodium;decane-1,10-disulfonate
CID 87519177
bismuth tris(4-aminobenzenesulfonate)
CID 71654472
propane-1,3-disulfonate;silver
CID 87079724
undecane-1,11-disulfonate
CID 23618255
lithium 3-aminopropane-1-sulfonate
CID 118523249
sodium;4-aminobenzenesulfonamide;hydride
CID 173094657
3-(6-aminoquinolin-1-ium-1-yl)propane-1-sulfonate
CID 59946239
sodium 3-(trihydroxymethylamino)propane-1-sulfonate
CID 175125049
strontium bis(3-aminopropane-1-sulfonate)
CID 87367236
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766
trisodium;3-phosphonatopropane-1-sulfonate
CID 59119580

Frequently Asked Questions

What is the IUPAC name of sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate?
The IUPAC name of sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate (CID 139264896) is sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate.
What is the SMILES notation for sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate?
The canonical SMILES for sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate is Nc1ccc([Te]CCCS(=O)(=O)[O-])cc1.[Na+].
What is the InChIKey of sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate?
The InChIKey is JWLDWXZVBRQVIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H13NO3STe.Na/c10-8-2-4-9(5-3-8)15-7-1-6-14(11,12)13;/h2-5H,1,6-7,10H2,(H,11,12,13);/q;+1/p-1.
What are the key properties of sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate?
sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate has a molecular weight of 364.86 g/mol, XLogP of -3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-(4-aminophenyl)tellanylpropane-1-sulfonate is sourced from PubChem (CID 139264896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).