- InChI
- InChI=1S/C17H26N2O4S/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20)
- InChI Key
- UNRHXEPDKXPRTM-UHFFFAOYSA-N
- Formula
- C17H26N2O4S
- SMILES
-
CCN1CCCC1CNC(=O)c1cc(S(=O)(=O)
CC)ccc1OC - Molecular Weight1
- 354.46
- CAS
- 53583-79-2
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.8546 | Relay (... Calculated Property | |
| ΔfG° | -172.44 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -626.32 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 119.46 | kJ/mol | Relay (... Calculated Property |
| IE | 8.09 | eV | Relay (... Calculated Property |
| log10WS | -2.49 | Relay (... Calculated Property | |
| logPoct/wat | 1.703 | Crippen Calculated Property | |
| McVol | 271.260 | ml/mol | McGowan Calculated Property |
| Pc | 1420.95 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [3065.00; 3065.00] |
|
|
| Inp | 3065.00 | NIST | |
| Inp | 3065.00 | NIST | |
| Tboil | 701.25 | K | Relay (... Calculated Property |
| Tc | 966.16 | K | Relay (... Calculated Property |
| Tfus | 423.62 | K | Relay (... Calculated Property |
| Vc | 0.950 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Sultopride.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) ⚠️ Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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