Back to Search
Molecule
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
Identifiers
CAS Registry Number
968-81-0
SMILES
CC(=O)c1ccc(S(=O)(=O)NC(O)=NC2CCCCC2)cc1
InChI Key
VGZSUPCWNCWDAN-UHFFFAOYSA-N
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)
Names and Synonyms
- Acetohexamide Common Name
- Benzenesulfonamide, 4-acetyl-N-[(cyclohexylamino)carbonyl]- Synonym
- Urea, 1-[(p-acetylphenyl)sulfonyl]-3-cyclohexyl- Synonym
- 4-Acetyl-N-[(cyclohexylamino)carbonyl]benzenesulfonamide Synonym
- Acetohexamide Synonym
- 1-(p-Acetylbenzenesulfonyl)-3-cyclohexylurea Synonym
- N-(p-Acetylphenylsulfonyl)-N′-cyclohexylurea Synonym
- 1-[(p-Acetylphenyl)sulfonyl]-3-cyclohexylurea Synonym
- Dymelor Synonym
- Dimelor Synonym
- Acetohexamid Synonym
- Ordimel Synonym
- Dimelin Synonym
- Dimelin (antidiabetic) Synonym
- U 14812 Synonym
- Gamadiabet Synonym
- Hypoglicil Synonym
- Metaglucina Synonym
- Minoral Synonym
- Tsiklamid Synonym
- 1-(4-Acetylphenyl)sulfonyl-3-cyclohexylurea Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 324.40 g/mol | CAS Common Chemistry |
| 324.4020000000001 g/mol | RDKit | |
| 324.402 g/mol | RDKit | |
| 324.395 g/mol | chempirical lib | |
| 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 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.4667 | RDKit |
| 0.47 | chempirical lib | |
| Exact Mass | 324.11437811999997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 324.40 g/mol. Edit any field — others recompute live.
