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Acetohexamide
CAS: 968-81-0 | C15H20N2O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
968-81-0
Molecular Formula:
C15H20N2O4S
Molecular Mass:
324.40 g/mol
Names and Synonyms:
Acetohexamide
Benzenesulfonamide, 4-acetyl-N-[(cyclohexylamino)carbonyl]-
Urea, 1-[(p-acetylphenyl)sulfonyl]-3-cyclohexyl-
4-Acetyl-N-[(cyclohexylamino)carbonyl]benzenesulfonamide
Acetohexamide
1-(p-Acetylbenzenesulfonyl)-3-cyclohexylurea
N-(p-Acetylphenylsulfonyl)-N′-cyclohexylurea
1-[(p-Acetylphenyl)sulfonyl]-3-cyclohexylurea
Dymelor
Dimelor
Acetohexamid
Ordimel
Dimelin
Dimelin (antidiabetic)
U 14812
Gamadiabet
Hypoglicil
Metaglucina
Minoral
Tsiklamid
1-(4-Acetylphenyl)sulfonyl-3-cyclohexylurea
Identifiers:
SMILES:
CC(=O)c1ccc(S(=O)(=O)NC(O)=NC2CCCCC2)cc1
InChI:
InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19)
Key Properties
Melting Point
188-190 °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 | 324.40 g/mol | CAS Common Chemistry |
| 324.4020000000001 g/mol | RDKit | |
| 324.11437811999997 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1CCCCC1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19) | CAS Common Chemistry |
| InChI Key | InChIKey=VGZSUPCWNCWDAN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 188-190 °C | CAS Common Chemistry |
| Name | Acetohexamide | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 95.83 Ų | RDKit |
| LogP | 2.4142 | RDKit |
| Molar Refractivity | 83.70480000000005 | RDKit |
