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Chlorpropamid
CAS: 94-20-2 | C10H13ClN2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
94-20-2
Molecular Formula:
C10H13ClN2O3S
Molecular Mass:
276.75 g/mol
Names and Synonyms:
Chlorpropamid
Diabeneza
Diabaril
U 9818
Glisema
Chloronase
Meldian
Chlorodiabina
Diabetoral
Diabet-Pages
Diabenal
Melitase
Adiaben
Diabechlor
Millinese
Asucrol
Stabinol
NSC 44634
NSC 626720
Pamidin
1-(4-Chlorophenyl)sulfonyl-3-propyl-urea
1-(4-Chlorophenyl)sulfonyl-3-propylurea
1-(4-Chloro-benzenesulfonyl)-3-n-propyl-urea
4-Chloro-N-(propylcarbamoyl)benzenesulfonamide
Chlorpropamide
Benzenesulfonamide, 4-chloro-N-[(propylamino)carbonyl]-
Urea, 1-[(p-chlorophenyl)sulfonyl]-3-propyl-
4-Chloro-N-[(propylamino)carbonyl]benzenesulfonamide
P 607
Catanil
N-(p-Chlorobenzenesulfonyl)-N′-propylurea
1-(p-Chlorobenzenesulfonyl)-3-propylurea
1-(p-Chlorophenylsulfonyl)-3-propylurea
Chloropropamide
Chlorpropamide
Diabenese
Diabinese
N-Propyl-N′-(p-chlorobenzenesulfonyl)urea
1-Propyl-3-(p-chlorobenzenesulfonyl)urea
N-Propyl-N′-p-chlorphenylsulfonylcarbamide
N-(4-Chlorophenylsulfonyl)-N′-propylurea
Identifiers:
SMILES:
CCCN=C(O)NS(=O)(=O)c1ccc(Cl)cc1
InChI:
InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
Key Properties
Melting Point
127-129 °C
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 | 276.75 g/mol | CAS Common Chemistry |
| 276.74499999999995 g/mol | RDKit | |
| 276.033540956 g/mol | RDKit | |
| Canonical SMILES | O=C(NCCC)NS(=O)(=O)C1=CC=C(Cl)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C10H13ClN2O3S/c1-2-7-12-10(14)13-17(15,16)9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=RKWGIWYCVPQPMF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 127-129 °C | CAS Common Chemistry |
| Name | Chlorpropamide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 78.76 Ų | RDKit |
| LogP | 1.9423000000000001 | RDKit |
| Molar Refractivity | 66.99530000000003 | RDKit |
