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5-Amino-2-Chloro-N-(2,4-Dimethylphenyl)Benzenesulfonamide
CAS: 71215-81-1 | C14H15ClN2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
71215-81-1
Molecular Formula:
C14H15ClN2O2S
Molecular Mass:
310.81 g/mol
Names and Synonyms:
5-Amino-2-Chloro-N-(2,4-Dimethylphenyl)Benzenesulfonamide
Benzenesulfonamide, 5-amino-2-chloro-N-(2,4-dimethylphenyl)-
5-Amino-2-chloro-N-(2,4-dimethylphenyl)benzenesulfonamide
Identifiers:
SMILES:
Cc1ccc(NS(=O)(=O)c2cc(N)ccc2Cl)c(C)c1
InChI:
InChI=1S/C14H15ClN2O2S/c1-9-3-6-13(10(2)7-9)17-20(18,19)14-8-11(16)4-5-12(14)15/h3-8,17H,16H2,1-2H3
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 | 310.81 g/mol | CAS Common Chemistry |
| 310.80600000000004 g/mol | RDKit | |
| 310.0542764 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(NC1=CC=C(C=C1C)C)C2=CC(N)=CC=C2Cl | CAS Common Chemistry |
| InChI | InChI=1S/C14H15ClN2O2S/c1-9-3-6-13(10(2)7-9)17-20(18,19)14-8-11(16)4-5-12(14)15/h3-8,17H,16H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=SOWYLSRVTBKKJE-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 5-Amino-2-chloro-N-(2,4-dimethylphenyl)benzenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 72.19 Ų | RDKit |
| LogP | 3.3398400000000015 | RDKit |
| Molar Refractivity | 82.58890000000002 | RDKit |
