ChemSpider 2D Image | (3R)-3-[(1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide | C14H16ClN3O4S2

(3R)-3-[(1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide

  • Molecular FormulaC14H16ClN3O4S2
  • Average mass389.878 Da
  • Monoisotopic mass389.027069 Da
  • ChemSpider ID32821881

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3R) 1,1-Dioxyde de 3-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-én-2-yl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide [French] [ACD/IUPAC Name]
(3R)-3-[(1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]-6-chlor-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-sulfonamid-1,1-dioxid [German] [ACD/IUPAC Name]
(3R)-3-[(1S,2S,4S)-Bicyclo[2.2.1]hept-5-en-2-yl]-6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide [ACD/IUPAC Name]
2H-1,2,4-Benzothiadiazine-7-sulfonamide, 3-[(1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-6-chloro-3,4-dihydro-, 1,1-dioxide, (3R)- [ACD/Index Name]
(R)-3-((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)-6-chloro-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 1,1-dioxide
2259-96-3 [RN]
Cyclothiazide [INN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 627.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.2±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.15
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 5.98
ACD/KOC (pH 5.5): 125.16
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.69
ACD/KOC (pH 7.4): 119.10
Polar Surface Area: 135 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 248.0±3.0 cm3

Click to predict properties on the Chemicalize site


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