Back to Search
Molecule
6-Amino-N-Methyl-2-Naphthalenesulfonamide
CAS: 104295-55-8 · C11H12N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 104295-55-8
- Molecular Formula
- C11H12N2O2S
- Molecular Mass
- 236.30 g/mol
Identifiers
CAS Registry Number
104295-55-8
SMILES
CNS(=O)(=O)c1ccc2cc(N)ccc2c1
InChI Key
RBQODZRXIYFUJS-UHFFFAOYSA-N
InChI
InChI=1S/C11H12N2O2S/c1-13-16(14,15)11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,13H,12H2,1H3
Names and Synonyms
- 6-Amino-N-Methyl-2-Naphthalenesulfonamide Systematic Name
- 2-Naphthalenesulfonamide, 6-amino-N-methyl- Synonym
- 6-Amino-N-methyl-2-naphthalenesulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 236.30 g/mol | CAS Common Chemistry |
| 236.296 g/mol | RDKit | |
| 236.289 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(NC)C1=CC=C2C=C(N)C=CC2=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C11H12N2O2S/c1-13-16(14,15)11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7,13H,12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RBQODZRXIYFUJS-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 6-Amino-N-methyl-2-naphthalenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 72.19 Ų | RDKit |
| LogP | 1.3300999999999998 | RDKit |
| 1.3301 | RDKit | |
| Molar Refractivity | 64.60590000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0909 | RDKit |
| 0.09 | chempirical lib | |
| Exact Mass | 236.061948624 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 = 236.30 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C11H12N2O2S.
