Back to Search
N-Cyclohexyl-4-Toluenesulfonamide
CAS: 80-30-8 | C13H19NO2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-30-8
Molecular Formula:
C13H19NO2S
Molecular Mass:
253.37 g/mol
Names and Synonyms:
N-Cyclohexyl-4-Toluenesulfonamide
Benzenesulfonamide, N-cyclohexyl-4-methyl-
p-Toluenesulfonamide, N-cyclohexyl-
N-Cyclohexyl-4-methylbenzenesulfonamide
N-Cyclohexyl-p-toluenesulfonamide
Santicizer 1H
N-Cyclohexyl-4-toluenesulfonamide
(Tosylamino)cyclohexane
N-Cyclohexyl-4-methylphenylsulfonamide
NSC 14856
NSC 48143
Topcizer 8
Identifiers:
SMILES:
Cc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChI:
InChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3
Key Properties
Melting Point
86.5-88.0 °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 | 253.37 g/mol | CAS Common Chemistry |
| 253.36699999999996 g/mol | RDKit | |
| 253.113649848 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(NC1CCCCC1)C2=CC=C(C=C2)C | CAS Common Chemistry |
| InChI | InChI=1S/C13H19NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h7-10,12,14H,2-6H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DKYVVNLWACXMDW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 86.5-88.0 °C | CAS Common Chemistry |
| Name | N-Cyclohexyl-4-toluenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 17 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 46.17 Ų | RDKit |
| LogP | 2.606020000000001 | RDKit |
| Molar Refractivity | 68.37350000000004 | RDKit |
