Back to Search
3-Amino-4-Hydroxy-N-Methylbenzenesulfonamide
CAS: 80-23-9 | C7H10N2O3S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
80-23-9
Molecular Formula:
C7H10N2O3S
Molecular Mass:
202.24 g/mol
Names and Synonyms:
3-Amino-4-Hydroxy-N-Methylbenzenesulfonamide
Benzenesulfonamide, 3-amino-4-hydroxy-N-methyl-
Metanilamide, 4-hydroxy-N1-methyl-
Metanilamide, 4-hydroxy-N-methyl-
1-Phenol-4-sulfonamide, 2-amino-N-methyl-
3-Amino-4-hydroxy-N-methylbenzenesulfonamide
2-Amino-N-methyl-1-phenol-4-sulfonamide
2-Aminophenol-4-sulfomethylamide
2-Aminophenol-4-sulfonic acid methylamide
4-Hydroxy-N1-methylmetanilamide
2-Amino-4-(methylsulfamoyl)phenol
3-Amino-4-hydroxy-N-methylbenzene-1-sulfonamide
Identifiers:
SMILES:
CNS(=O)(=O)c1ccc(O)c(N)c1
InChI:
InChI=1S/C7H10N2O3S/c1-9-13(11,12)5-2-3-7(10)6(8)4-5/h2-4,9-10H,8H2,1H3
Key Properties
Melting Point
129-130 °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 | 202.24 g/mol | CAS Common Chemistry |
| 202.23499999999999 g/mol | RDKit | |
| 202.04121318 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(NC)C1=CC=C(O)C(N)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H10N2O3S/c1-9-13(11,12)5-2-3-7(10)6(8)4-5/h2-4,9-10H,8H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=NFNLMGYLSDEJKS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 129-130 °C | CAS Common Chemistry |
| Name | 3-Amino-4-hydroxy-N-methylbenzenesulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 92.42 Ų | RDKit |
| LogP | -0.11750000000000027 | RDKit |
| Molar Refractivity | 48.76470000000001 | RDKit |
