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(±)-Sulpiride
CAS: 15676-16-1 | C15H23N3O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
15676-16-1
Molecular Formula:
C15H23N3O4S
Molecular Mass:
341.43 g/mol
Names and Synonyms:
(±)-Sulpiride
Benzamide, 5-(aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-
o-Anisamide, N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-sulfamoyl-
5-(Aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide
N-[(1-Ethyl-2-pyrrolidinyl)methyl]-2-methoxy-5-sulfamoylbenzamide
Sulpiride
N-[(1-Ethyl-2-pyrrolidinyl)methyl]-5-sulfamoyl-o-anisamide
N-(1-Ethyl-2-pyrrolidinylmethyl)-2-methoxy-5-sulfamidobenzamide
Dogmatil
Sulpirid
Aiglonyl
Dogmatyl
Eglonyl
RD 1403
Sulpyrid
Abilit
Dobren
(±)-Sulpiride
dl-Sulpiride
DL-Sulpiride
Coolspan
Omperan
Meresa
Guastil
Pyrikappl
Misulvan
Dolmatil
Synedil
Miradol
Sursumid
Trilan
Sernevin
Splotin
Sulpitil
Neogama
Mirbanil
N-(1-Ethylpyrrolidin-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide
Dogmil
Identifiers:
SMILES:
CCN1CCCC1CN=C(O)c1cc(S(N)(=O)=O)ccc1OC
InChI:
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
Key Properties
Melting Point
178 °C (decomp)
CAS Common Chemistry
Density
1.34 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 341.43 g/mol | CAS Common Chemistry |
| 341.4330000000001 g/mol | RDKit | |
| 341.140927216 g/mol | RDKit | |
| Density | 1.34 g/cm³ | CAS Common Chemistry |
| 1.34 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(NCC1N(CC)CCC1)C2=CC(=CC=C2OC)S(=O)(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) | CAS Common Chemistry |
| InChI Key | InChIKey=BGRJTUBHPOOWDU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 178 °C (decomp) | CAS Common Chemistry |
| Name | (±)-Sulpiride | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 105.21999999999998 Ų | RDKit |
| LogP | 1.1315000000000008 | RDKit |
| Molar Refractivity | 88.66900000000005 | RDKit |
