Sulfamethoxazole

Compound Structure

CAS Number: 723-46-6

Molecular Mass: 253.28 g/mol

Formula: C10H11N3O3S

Smiles: Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Octanol 298.15 - 1.543 [52]
1-Octanol 298.15 - 1.55 [50]
1-Octanol 303.15 - 1.799 [52]
1-Octanol 303.15 - 1.751 [50]
1-Octanol 308.15 - 2.04 [52]
1-Octanol 308.15 - 2.094 [50]
1-Octanol 313.15 - 2.267 [52]
1-Octanol 313.15 - 2.337 [50]
1-Octanol 318.15 - 2.459 [52]
1-Octanol 323.15 - 2.614 [52]
1-Octanol 328.15 - 2.721 [52]
1-Octanol 333.15 - 2.785 [52]
Water 298.15 - 0.3782 [49]
Water 298.15 - 0.3735 [50]
Water 303.15 - 0.4572 [49]
Water 303.15 - 0.4957 [50]
Water 308.15 - 0.5473 [49]
Water 308.15 - 0.6078 [50]
Water 313.15 - 0.6431 [49]
Water 313.15 - 0.6858 [50]
Water 318.15 - 0.7554 [49]
Water 323.15 - 0.879 [49]
Water 328.15 - 1.044 [49]
Water 333.15 - 1.212 [49]

Molecule 3D descriptors

Descriptor Value
PMI1 826.7715
PMI2 1762.6557
PMI3 2244.4125
NPR1 0.3684
NPR2 0.7854
RadiusOfGyration 3.0891
InertialShapeFactor 0.0009
Eccentricity 0.9297
Asphericity 0.2669
SpherocityIndex 0.2604
PBF 0.8943