Sulfapyridine

Compound Structure

CAS Number: 144-83-2

Molecular Mass: 249.29 g/mol

Formula: C11H11N3O2S

Smiles: Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Octanol 298.15 - 0.1256 [50]
1-Octanol 303.15 - 0.156 [50]
1-Octanol 308.15 - 0.1835 [50]
1-Octanol 313.15 - 0.253 [50]
Ethanol 293.15 - 1.445 [171]
Ethanol 298.15 - 1.784 [171]
Ethanol 303.15 - 2.07 [171]
Ethanol 308.15 - 2.455 [171]
Ethanol 313.15 - 2.944 [171]
Water 293.15 - 0.3202 [171]
Water 298.15 - 0.3691 [171]
Water 298.15 - 0.2623 [50]
Water 303.15 - 0.4324 [171]
Water 303.15 - 0.3478 [50]
Water 308.15 - 0.4849 [171]
Water 308.15 - 0.4245 [50]
Water 313.15 - 0.5602 [171]
Water 313.15 - 0.5171 [50]

Molecule 3D descriptors

Descriptor Value
PMI1 899.5687
PMI2 1313.4801
PMI3 1811.9150
NPR1 0.4965
NPR2 0.7249
RadiusOfGyration 2.8412
InertialShapeFactor 0.0008
Eccentricity 0.8681
Asphericity 0.1546
SpherocityIndex 0.4103
PBF 1.0157