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EC number: 220-051-4 | CAS number: 2618-96-4
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-(benzenesulfonyl)benzene sulfonamide (CAS No. 2618 -96 -4). The soil adsorption coefficient i.e Koc value of N-(benzenesulfonyl)benzenesulfonamide was estimated to be 449.2 L/kg (log Koc=2.6524) by means of MCI method (at 25 deg C). This Koc value indicates that the substance N-(benzenesulfonyl)benzenesulfonamide has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
Additional information
Adsorption / desorption
Various predicted data for the target compound N-(benzenesulfonyl)benzenesulfonamide (CAS No. 2618-96-4) and supporting weight of evidence study for its structurally similar 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-(benzenesulfonyl)benzene sulfonamide (CAS No. 2618 -96 -4). The soil adsorption coefficient i.e Koc value of N-(benzenesulfonyl)benzenesulfonamide was estimated to be 449.2 L/kg (log Koc=2.6524) by means of MCI method (at 25 deg C). This Koc value indicates that the substance N-(benzenesulfonyl)benzenesulfonamide has a moderate sorption to soil and sediment and therefore have slow migration potential to ground water.
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-(benzenesulfonyl)benzenesulfonamide was estimated to be 144 L/kg (log Koc = 2.1583).The predicted KOC result based on the 5 OECD principles. This Koc value indicates that the substance N-(benzenesulfonyl)benzenesulfonamide has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
In a supporting weight of evidence study from authoritative database (HSDB, 2017) for the read across chemical 4-amino-N-(quinoxalin-2-yl)benzene-1-sulfonamide (CAS no. 59-40-5),adsorption experiment was conducted for estimating the adsorption coefficient (Koc) value of read across chemical 4-amino-N-(quinoxalin-2-yl)benzene-1-sulfonamide. The adsorption coefficient (Koc) value was calculated using a logKow of 1.68 and a regression derived equation. The adsorption coefficient (Koc) value of test substance 4 -amino-N-(quinoxalin-2 -yl)benzene-1 -sulfonamidewas estimated to be 200 (Log Koc = 2.301). This Koc value indicates that the substance 4 -amino-N-(quinoxalin-2 -yl)benzene-1 -sulfonamide has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
For the read across chemicalDiphenamid (CAS no. 957-51-7),adsorption study was conducted for estimating the adsorption coefficient (Koc) value of read across chemical Diphenamid (HSDB, 2017). The adsorption coefficient (Koc) value was calculated using a water solubility. The adsorption coefficient (Koc) value of read across substance Diphenamid was estimated to be 210 (Log Koc = 2.332). This Koc value indicates that the substance Diphenamid has a low sorption to soil and sediment and therefore have moderate migration potential to ground water.
On the basis of above overall results for target chemical N-(benzenesulfonyl)benzenesulfonamide (from EPI suiteand 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 substance N-(benzenesulfonyl)benzenesulfonamide ranges from 144–449.2,indicating that the test chemical N-(benzenesulfonyl)benzenesulfonamide has a low to moderate sorption to soil and sediment and therefore have moderate to slow migration potential to ground water.
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