ChemSpider 2D Image | 4-({4-[2-(1-Pyrrolidinyl)ethyl]-1-piperazinyl}sulfonyl)benzoic acid | C17H25N3O4S

4-({4-[2-(1-Pyrrolidinyl)ethyl]-1-piperazinyl}sulfonyl)benzoic acid

  • Molecular FormulaC17H25N3O4S
  • Average mass367.463 Da
  • Monoisotopic mass367.156586 Da
  • ChemSpider ID26053440

More details:

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

4-({4-[2-(1-Pyrrolidinyl)ethyl]-1-piperazinyl}sulfonyl)benzoesäure [German] [ACD/IUPAC Name]
4-({4-[2-(1-Pyrrolidinyl)ethyl]-1-piperazinyl}sulfonyl)benzoic acid [ACD/IUPAC Name]
Acide 4-({4-[2-(1-pyrrolidinyl)éthyl]-1-pipérazinyl}sulfonyl)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]sulfonyl]- [ACD/Index Name]
1203428-11-8 [RN]
4-({4-[2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}sulfonyl)benzoic acid
4-(4-[2-(PYRROLIDIN-1-YL)ETHYL]PIPERAZINE-1-SULFONYL)BENZOIC ACID
4-{4-[2-(pyrrolidin-1-yl)ethyl]piperazine-1-sulfonyl}benzoic acid
MFCD16622081 [MDL number]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 531.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 275.0±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 95.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.18
ACD/LogD (pH 5.5): -0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 281.7±3.0 cm3

Click to predict properties on the Chemicalize site


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