ChemSpider 2D Image | (3R)-6-Chloro-3-[(2S,3S)-3-methyl-2-pentanyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide | C13H20ClN3O4S2

(3R)-6-Chloro-3-[(2S,3S)-3-methyl-2-pentanyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

  • Molecular FormulaC13H20ClN3O4S2
  • Average mass381.899 Da
  • Monoisotopic mass381.058380 Da
  • ChemSpider ID34987022

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R) 1,1-Dioxyde de 6-chloro-3-[(2S,3S)-3-méthyl-2-pentanyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide [French] [ACD/IUPAC Name]
(3R)-6-Chlor-3-[(2S,3S)-3-methyl-2-pentanyl]-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-sulfonamid-1,1-dioxid [German] [ACD/IUPAC Name]
(3R)-6-Chloro-3-[(2S,3S)-3-methyl-2-pentanyl]-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide [ACD/IUPAC Name]
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 6-chloro-3-[(1S,2S)-1,2-dimethylbutyl]-3,4-dihydro-, 1,1-dioxide, (3R)- [ACD/Index Name]
222-660-0 [EINECS]
3568-00-1 [RN]
Mebutizide [INN] [Wiki]
UNII-7738AS8324

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

Density: 1.4±0.1 g/cm3
Boiling Point: 567.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.2±32.9 °C
Index of Refraction: 1.565
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 8.87
ACD/KOC (pH 5.5): 166.00
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.52
ACD/KOC (pH 7.4): 159.36
Polar Surface Area: 135 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 277.8±3.0 cm3

Click to predict properties on the Chemicalize site


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