Back to Search
4-Amino-N,N-Dimethylbenzenesulfonamide
CAS: 1709-59-7 | C8H12N2O2S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1709-59-7
Molecular Formula:
C8H12N2O2S
Molecular Mass:
200.26 g/mol
Names and Synonyms:
4-Amino-N,N-Dimethylbenzenesulfonamide
Benzenesulfonamide, 4-amino-N,N-dimethyl-
Sulfanilamide, N1,N1-dimethyl-
4-Amino-N,N-dimethylbenzenesulfonamide
p-Amino-N,N-dimethylbenzenesulfonamide
N1,N1-Dimethylsulfanilamide
p-(Dimethylsulfamoyl)aniline
N,N-Dimethylsulfanilamide
4-(Dimethylaminosulfonyl)aniline
4-(N,N-Dimethylsulfamoyl)aniline
[(4-Aminophenyl)sulfonyl]dimethylamine
NSC 110777
N,N-Dimethyl-4-aminobenzenesulfonamide
4-Amino-N,N-dimethylbenzene-1-sulfonamide
Identifiers:
SMILES:
CN(C)S(=O)(=O)c1ccc(N)cc1
InChI:
InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
Key Properties
Melting Point
168 °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 | 200.26 g/mol | CAS Common Chemistry |
| 200.263 g/mol | RDKit | |
| 200.061948624 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(C1=CC=C(N)C=C1)N(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=BABGMPQXLCJMSK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168 °C | CAS Common Chemistry |
| Name | 4-Amino-N,N-dimethylbenzenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.400000000000006 Ų | RDKit |
| LogP | 0.5191 | RDKit |
| Molar Refractivity | 51.727200000000025 | RDKit |
