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Search term: MF = 'C_{23}H_{23}N_{3}O_{5}S'
ChemSpider 2D Image | N-{2-[(2E)-2-(2-Methoxybenzylidene)hydrazino]-2-oxoethyl}-N-(4-methoxyphenyl)benzenesulfonamide | C23H23N3O5S

N-{2-[(2E)-2-(2-Methoxybenzylidene)hydrazino]-2-oxoethyl}-N-(4-methoxyphenyl)benzenesulfonamide

  • Molecular FormulaC23H23N3O5S
  • Average mass Da
  • Monoisotopic mass Da
  • ChemSpider ID5280382

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

N-{2-[(2E)-2-(2-Methoxybenzyliden)hydrazino]-2-oxoethyl}-N-(4-methoxyphenyl)benzolsulfonamid [German] [ACD/IUPAC Name]
N-{2-[(2E)-2-(2-Methoxybenzylidene)hydrazino]-2-oxoethyl}-N-(4-methoxyphenyl)benzenesulfonamide [ACD/IUPAC Name]
N-{2-[(2E)-2-(2-Méthoxybenzylidène)hydrazino]-2-oxoéthyl}-N-(4-méthoxyphényl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-{2-[(2E)-2-(2-Methoxybenzylidene)hydrazino]-2-oxoethyl}-N-(4-methoxyphenyl)benzenesulfonamide (non-preferred name)
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
360050-36-8 [RN]
N-(2-Methoxy-benzylidene-hydrazinocarbonylmethyl)-N-(4-methoxy-phenyl)-benzenesulfonamide
N-(4-METHOXYPHENYL)-N-({N`-[(1E)-(2-METHOXYPHENYL)METHYLIDENE]HYDRAZINECARBONYL}METHYL)BENZENESULFONAMIDE
N-{2-[(2E)-2-(2-methoxybenzylidene)hydrazinyl]-2-oxoethyl}-N-(4-methoxyphenyl)benzenesulfonamide (non-preferred name)

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    No predicted properties have been calculated for this compound.

    Predicted data is generated using the US Environmental Protection Agency�s EPISuite™ 

                            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  3.39

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  643.43  (Adapted Stein & Brown method)
    Melting Pt (deg C):  279.60  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.21E-015  (Modified Grain method)
    Subcooled liquid VP: 5.34E-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):  1.804
       log Kow used: 3.39 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  0.31283 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Hydrazines

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.09E-014  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.716E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  3.39  (KowWin est)
  Log Kaw used:  -12.351  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  15.741
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9235
   Biowin2 (Non-Linear Model)     :   0.9461
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.1027  (months      )
   Biowin4 (Primary Survey Model) :   3.3526  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :  -0.0993
   Biowin6 (MITI Non-Linear Model):   0.0036
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.0696
 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):  7.12E-010 Pa (5.34E-012 mm Hg)
  Log Koa (Koawin est  ): 15.741
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.21E+003 
       Octanol/air (Koa) model:  1.35E+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 =  53.1572 E-12 cm3/molecule-sec
      Half-Life =     0.201 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.415 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    :  8.716E+004
      Log Koc:  4.940 

 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 = 1.910 (BCF = 81.3)
       log Kow used: 3.39 (estimated)

 Volatilization from Water:
    Henry LC:  1.09E-014 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.144E+011  hours   (4.766E+009 days)
    Half-Life from Model Lake : 1.248E+012  hours   (5.2E+010 days)

 Removal In Wastewater Treatment:
    Total removal:              10.76  percent
    Total biodegradation:        0.17  percent
    Total sludge adsorption:    10.60  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       0.015           4.83         1000       
   Water     10              1.44e+003    1000       
   Soil      89.3            2.88e+003    1000       
   Sediment  0.653           1.3e+004     0          
     Persistence Time: 2.59e+003 hr

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