N-(4-{[4-(Hydroxyamino)phenyl]sulfonyl}phenyl)acetamide
CC(=O)Nc1ccc(cc1)S(=O)(=O)c2ccc(cc2)NO
InChI=1S/C14H14N2O4S/c1-10(17)15-11-2-6-13(7-3-11)21(19,20)14-8-4-12(16-18)5-9-14/h2-9,16,18H,1H3,(H,15,17)
YUWDJHZQRAHBBW-UHFFFAOYSA-N
CSID:148195, http://www.chemspider.com/Chemical-Structure.148195.html (accessed 01:02, Mar 19, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Predicted data is generated using the US Environmental Protection Agency�s EPISuite
Log Octanol-Water Partition Coef (SRC): Log Kow (KOWWIN v1.67 estimate) = 0.75 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 545.97 (Adapted Stein & Brown method) Melting Pt (deg C): 234.07 (Mean or Weighted MP) VP(mm Hg,25 deg C): 4.02E-014 (Modified Grain method) Subcooled liquid VP: 7.19E-012 mm Hg (25 deg C, Mod-Grain method) Water Solubility Estimate from Log Kow (WSKOW v1.41): Water Solubility at 25 deg C (mg/L): 2559 log Kow used: 0.75 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 177.11 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 2.02E-019 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 6.332E-018 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 0.75 (KowWin est) Log Kaw used: -17.083 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 17.833 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.8119 Biowin2 (Non-Linear Model) : 0.7941 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.4680 (weeks-months) Biowin4 (Primary Survey Model) : 3.6112 (days-weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.0064 Biowin6 (MITI Non-Linear Model): 0.0115 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -0.5748 Ready Biodegradability Prediction: NO Hydrocarbon Biodegradation (BioHCwin v1.01): Structure incompatible with current estimation method! Sorption to aerosols (25 Dec C)[AEROWIN v1.00]: Vapor pressure (liquid/subcooled): 9.59E-010 Pa (7.19E-012 mm Hg) Log Koa (Koawin est ): 17.833 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 3.13E+003 Octanol/air (Koa) model: 1.67E+005 Fraction sorbed to airborne particulates (phi): Junge-Pankow model : 1 Mackay model : 1 Octanol/air (Koa) model: 1 Atmospheric Oxidation (25 deg C) [AopWin v1.92]: Hydroxyl Radicals Reaction: OVERALL OH Rate Constant = 11.8767 E-12 cm3/molecule-sec Half-Life = 0.901 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 10.807 Hrs Ozone Reaction: No Ozone Reaction Estimation Fraction sorbed to airborne particulates (phi): 1 (Junge,Mackay) Note: the sorbed fraction may be resistant to atmospheric oxidation Soil Adsorption Coefficient (PCKOCWIN v1.66): Koc : 2092 Log Koc: 3.321 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]: Rate constants can NOT be estimated for this structure! Bioaccumulation Estimates from Log Kow (BCFWIN v2.17): Log BCF from regression-based method = 0.500 (BCF = 3.162) log Kow used: 0.75 (estimated) Volatilization from Water: Henry LC: 2.02E-019 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 5.073E+015 hours (2.114E+014 days) Half-Life from Model Lake : 5.534E+016 hours (2.306E+015 days) Removal In Wastewater Treatment: Total removal: 1.87 percent Total biodegradation: 0.09 percent Total sludge adsorption: 1.78 percent Total to Air: 0.00 percent (using 10000 hr Bio P,A,S) Level III Fugacity Model: Mass Amount Half-Life Emissions (percent) (hr) (kg/hr) Air 5.17e-007 21.6 1000 Water 42.9 900 1000 Soil 57 1.8e+003 1000 Sediment 0.087 8.1e+003 0 Persistence Time: 1.02e+003 hr
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