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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
data is from modelling databases
Reference:
Composition 0
Qualifier:
according to
Guideline:
other: estimated data
Principles of method if other than guideline:
KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide.
GLP compliance:
not specified
Other quality assurance:
other: No data
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material : 4-amino-N-(4-aminophenyl)benzenesulphonamide
- Molecular formula : C12H13N3O2S
- Molecular weight : 263.32 g/mol
- Smiles notation : O=S(=O)(c1ccc(cc1)Nc1ccc(cc1)N)N
- InChl : 1S/C12H13N3O2S/c13-9-1-3-10(4-2-9)15-11-5-7-12(8-6-11)18(14,16)17/h1-8,15H,13H2,(H2,14,16,17)
- Substance type : Organic
- Physical state : Solid
Key result
Type:
log Pow
Partition coefficient:
0.202
Remarks on result:
other: Hydrophillic
Details on results:
No more data available
Conclusions:
The estimated logPOW of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide was 0.2016.
Executive summary:

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide.

The estimated logPOW of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide was 0.2016.

Based on the estimated value, the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide can be considered hydrophillic in nature, which is also supported by the water solubility of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide.

Description of key information

KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide.

The estimated logPOW of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide was 0.2016. Based on the estimated value, the test substance 4-amino-N-(4-aminophenyl) benzenesulphonamide can be considered hydrophillic in nature, which is also supported by the water solubility of the test substance 4-amino-N- (4-aminophenyl)benzenesulphonamide.

Key value for chemical safety assessment

Log Kow (Log Pow):
0.202

Additional information

Based on the available data in a key study from modeling databases, the octanol water partition coefficient (log Pow) value of the test substance 4-amino-N-(4-aminophenyl) benzenesulphonamide (16803 -97 -7) was determine. KOWWIN V1.68 was used to estimate the octanol water partition coefficient of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide. The estimated logPOW of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide was 0.2016.

Based on the estimated value, the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide can be considered hydrophillic in nature, which is also supported by the water solubility of the test substance 4-amino-N-(4-aminophenyl)benzenesulphonamide.

In a supporting study from predicted data. The partition coefficient (log Kow) of test chemical 4-amino-N-(4-aminophenyl)benzenesulphonamide (Cas no. 16803 -97 -7) was determined to be 0.1 ±.0.35. Based on the predicted data chemical 4-amino-N-(4-aminophenyl)benzenesulphonamide can be considered to be hydrophilic in nature.

Thus based on the predicted data it was concluded that the chemical was hydrophilic in nature.