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Environmental fate & pathways

Hydrolysis

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Reference
Endpoint:
hydrolysis
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 computational model developed by USEPA
Qualifier:
according to guideline
Guideline:
other: Modeling database
Principles of method if other than guideline:
Data is from HYDROWIN v2.00 of EPI suite
GLP compliance:
not specified
Specific details on test material used for the study:
- Name of test material: N-(4-sulfamoylphenyl)acetamide
- Molecular formula: C8H10N2O3S
- Molecular weight: 214.244 g/mol
- Smiles notation: c1(ccc(NC(C)=O)cc1)S(N)(=O)=O
- InChl: 1S/C8H10N2O3S/c1-6(11)10-7-2-4-8(5-3-7)14(9,12)13/h2-5H,1H3,(H,10,11)(H2,9,12,13)
- Substance type: Organic
- Physical state: Solid
Radiolabelling:
not specified
Analytical monitoring:
not specified
Estimation method (if used):
HYDROWIN v2.00
Transformation products:
not specified
Key result
pH:
7
Temp.:
25 °C
DT50:
3 950 yr
Type:
other: estimated data
Remarks on result:
other: Other details not known

HYDROWIN Program (v2.00) Results:

================================

SMILES : c1cc(NC(=O)C)ccc1S(=O)(=O)N

CHEM : Acetamide, N-[4-(aminosulfonyl)phenyl]

MOL FOR: C8 H10 N2 O3 S1

MOL WT : 214.24

--------------------------- HYDROWIN v2.00 Results ---------------------------

Hydrolyzable Function detected: Amides

-C-C(=O)-N-C

With the exception of a few halogenated acetamides, most amides

hydrolyze to acids extremely slowly at 25 degC and pH7 with half-lives

measured in centuries. Electronegative groups on carbon or nitrogen

greatly accelerate base catalyzed hydrolysis, but alkyl groups on

nitrogen retard both acid and base catalyzed processes. No neutral

hydrolysis is evident (Mabey and Mill, 1978). Selected amides

half-lives include:

Half-Live (in years at 25C, pH7)

Acetamide - 3950

Validity criteria fulfilled:
not specified
Conclusions:
The estimated half-life of N-(4-sulfamoylphenyl)acetamide was estimated to be 3950 yrs at pH 7.0 (at 25 deg C), indicating that it is not hydrolysable.
Executive summary:

HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2017) prediction model was used to predict the hydrolysis half-life of test compound N-(4 -sulfamoylphenyl)acetamide (CAS No. 121 -61 -9). The estimated half-life of N-(4 -sulfamoylphenyl)acetamide was estimated to be 3950 yrs at pH 7.0 (at 25 deg C), indicating that it is not hydrolysable.

Description of key information

HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2017) prediction model was used to predict the hydrolysis half-life of test compound N-(4 -sulfamoylphenyl) acetamide (CAS No. 121 -61 -9). The estimated half-life of N-(4 -sulfamoylphenyl)acetamide was estimated to be 3950 yrs at pH 7.0 (at 25 deg C), indicating that it is not hydrolysable.

Key value for chemical safety assessment

Half-life for hydrolysis:
3 950 yr
at the temperature of:
25 °C

Additional information

HYDROWIN v2.00 program of Estimation Programs Interface (EPI Suite, 2017) prediction model was used to predict the hydrolysis half-life of test compound N-(4 -sulfamoylphenyl) acetamide (CAS No. 121 -61 -9). The estimated half-life of N-(4 -sulfamoylphenyl)acetamide was estimated to be 3950 yrs at pH 7.0 (at 25 deg C), indicating that it is not hydrolysable.