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EC number: 204-486-7 | CAS number: 121-61-9
Endpoint summary
Administrative data
Description of key information
Adsorption/desorption
KOCWIN model (v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical N-(4-sulfamoylphenyl)acetamide
(CAS No. 121 -61 -9). The soil adsorption coefficient i.e Koc value of N-(4-sulfamoylphenyl)acetamide was estimated to be 12.14 L/kg (log Koc=1.0842) by means of MCI method (at 25 deg C). This Koc value indicates that the substance N-(4-sulfamoylphenyl)acetamide has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
Additional information
Adsorption/desorption
Various predicted data for the target compound N-(4-sulfamoylphenyl)acetamide (CAS No. 121-61-9) and supporting weight of evidence study for its read across substance were reviewed for the adsorption end point which are summarized as below:
In aprediction done using theKOCWIN Program(v2.00) of Estimation Programs Interface (EPI Suite, 2017) was used to predict the soil adsorption coefficient i.e Koc value of test chemical N-(4-sulfamoylphenyl)acetamide (CAS No. 121 -61 -9). The soil adsorption coefficient i.e Koc value of N-(4-sulfamoylphenyl)acetamide was estimated to be 12.14 L/kg (log Koc=1.0842) by means of MCI method (at 25 deg C).
The Soil Adsorption Coefficient i.e Koc value of test substance N-(4-sulfamoylphenyl)acetamide (CAS no. 121 -61 -9) was estimated using Adsorption Coefficient module (v12.1.0.50374) program as Koc 23.8, 23.6, 21.6, 11.8, 2.32 and approx. 1 at pH range 0-7, 8, 9, 10, 11 and 12-14, respectively (log Koc value ranges from 0 - 1.4 ± 1.0)(ACD (Advanced Chemistry Development)/I-Lab predictive module, 2017).
In an another prediction done by using ChemSpider Database (2017),the Soil Adsorption Coefficient i.e Koc value of test substance N-(4-sulfamoylphenyl)acetamide (CAS no. 121 -61 -9) was estimated. The adsorption coefficient (Koc) value of test substance N-(4-sulfamoylphenyl)acetamide was estimated to be 20.86 (Log Koc = 1.319) at pH 5.5 and 20.81 (Log Koc = 1.318) at pH 7.4, respectively.
Additional soil adsorption coefficient i.e Koc value of test chemical N-(4-sulfamoylphenyl)acetamide(CAS No. 121-61-9)was estimated using the SciFinder database (American Chemical Society (ACS), 2017).The soil adsorption coefficient i.e Koc value of N-(4-sulfamoylphenyl)acetamide was estimated to be 22.2, 22.0, 20.1 and 11.0 at pH range 1-7, 8, 9 and 10 (log Koc value ranges from 1.04 to 1.346) (at 25 deg C).
From CompTox Chemistry Dashboard using OPERA (OPEn (quantitative) structure-activity Relationship Application) V1.02 model in which calculation based on PaDEL descriptors (calculate molecular descriptors and fingerprints of chemical), the adsorption coefficient i.e KOC for test substance N-(4-sulfamoylphenyl)acetamide was estimated to be 13.8 L/kg (log Koc = 1.139).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance N-(4-sulfamoylphenyl)acetamide has a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical 4'-Hydroxyacetanilide (CAS no.103-90-2), adsorption study was conducted for estimating the adsorption coefficient (Koc) value of read across chemical 4'-Hydroxyacetanilide. The adsorption coefficient (Koc) value was calculated using an estimated logKow of 0.46 and a regression derived equation. The adsorption coefficient (Koc) value of substance 4'-Hydroxyacetanilide was estimated to be 21 (Log Koc = 1.322).
For the read across chemical 4-aminobenzene-1-sulfonamide (CAS no. 63-74-1), adsorption study was conducted for estimating the adsorption coefficient (Koc) value of read across chemical 4-aminobenzene-1-sulfonamide (HSDB, 2017). The adsorption coefficient (Koc) value was calculated using an experimental logKow of -0.62 and a regression derived equation. The adsorption coefficient (Koc) value of substance 4 -aminobenzene-1 -sulfonamide was estimated to be 11 (Log Koc = 1.041).
On the basis of above overall results for target chemicalN-(4-sulfamoylphenyl)acetamide(from EPI suite, ACD labs,ChemSpider, SciFinder database and CompTox Chemistry Dashboard,2017) and for its read across substance (from authoritative database HSDB, 2017), it can be concluded that the Koc value of test substanceN-(4-sulfamoylphenyl)acetamide ranges from 1 –23.8indicating that the test chemical N-(4-sulfamoylphenyl)acetamidehas a negligible sorption to soil and sediment and therefore have rapid migration potential to ground water.
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