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N-{4-[(3,4-Dimethylphenyl)sulfamoyl]phenyl}-2-naphthalenesulfonamide
Cc1ccc(cc1C)NS(=O)(=O)c2ccc(cc2)NS(=O)(=O)c3ccc4ccccc4c3
InChI=1S/C24H22N2O4S2/c1-17-7-9-22(15-18(17)2)26-31(27,28)23-13-10-21(11-14-23)25-32(29,30)24-12-8-19-5-3-4-6-20(19)16-24/h3-16,25-26H,1-2H3
LDNYVWKTVGBCFC-UHFFFAOYSA-N
CSID:1048500, http://www.chemspider.com/Chemical-Structure.1048500.html (accessed 07:15, Jul 9, 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) = 5.54 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42): Boiling Pt (deg C): 656.69 (Adapted Stein & Brown method) Melting Pt (deg C): 285.79 (Mean or Weighted MP) VP(mm Hg,25 deg C): 3.06E-015 (Modified Grain method) Subcooled liquid VP: 2.38E-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): 0.02166 log Kow used: 5.54 (estimated) no-melting pt equation used Water Sol Estimate from Fragments: Wat Sol (v1.01 est) = 4.0467e-005 mg/L ECOSAR Class Program (ECOSAR v0.99h): Class(es) found: Neutral Organics Henrys Law Constant (25 deg C) [HENRYWIN v3.10]: Bond Method : 1.20E-012 atm-m3/mole Group Method: Incomplete Henrys LC [VP/WSol estimate using EPI values]: 8.673E-014 atm-m3/mole Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]: Log Kow used: 5.54 (KowWin est) Log Kaw used: -10.309 (HenryWin est) Log Koa (KOAWIN v1.10 estimate): 15.849 Log Koa (experimental database): None Probability of Rapid Biodegradation (BIOWIN v4.10): Biowin1 (Linear Model) : 0.6348 Biowin2 (Non-Linear Model) : 0.0785 Expert Survey Biodegradation Results: Biowin3 (Ultimate Survey Model): 2.0184 (months ) Biowin4 (Primary Survey Model) : 3.0375 (weeks ) MITI Biodegradation Probability: Biowin5 (MITI Linear Model) : -0.4779 Biowin6 (MITI Non-Linear Model): 0.0002 Anaerobic Biodegradation Probability: Biowin7 (Anaerobic Linear Model): -1.2435 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): 3.17E-010 Pa (2.38E-012 mm Hg) Log Koa (Koawin est ): 15.849 Kp (particle/gas partition coef. (m3/ug)): Mackay model : 9.45E+003 Octanol/air (Koa) model: 1.73E+003 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 = 150.5250 E-12 cm3/molecule-sec Half-Life = 0.071 Days (12-hr day; 1.5E6 OH/cm3) Half-Life = 0.853 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 : 1.246E+006 Log Koc: 6.095 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 = 3.567 (BCF = 3691) log Kow used: 5.54 (estimated) Volatilization from Water: Henry LC: 1.2E-012 atm-m3/mole (estimated by Bond SAR Method) Half-Life from Model River: 1.054E+009 hours (4.391E+007 days) Half-Life from Model Lake : 1.15E+010 hours (4.79E+008 days) Removal In Wastewater Treatment: Total removal: 88.76 percent Total biodegradation: 0.75 percent Total sludge adsorption: 88.02 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 0.0242 1.71 1000 Water 5.07 1.44e+003 1000 Soil 48.1 2.88e+003 1000 Sediment 46.8 1.3e+004 0 Persistence Time: 3.07e+003 hr
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