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Molecule
4-Amino-N,N-Dimethylbenzenesulfonamide
CAS: 1709-59-7 · C8H12N2O2S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1709-59-7
- Molecular Formula
- C8H12N2O2S
- Molecular Mass
- 200.26 g/mol
Identifiers
CAS Registry Number
1709-59-7
SMILES
CN(C)S(=O)(=O)c1ccc(N)cc1
InChI Key
BABGMPQXLCJMSK-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
Names and Synonyms
- 4-Amino-N,N-Dimethylbenzenesulfonamide Systematic Name
- Benzenesulfonamide, 4-amino-N,N-dimethyl- Synonym
- Sulfanilamide, N1,N1-dimethyl- Synonym
- 4-Amino-N,N-dimethylbenzenesulfonamide Synonym
- p-Amino-N,N-dimethylbenzenesulfonamide Synonym
- N1,N1-Dimethylsulfanilamide Synonym
- p-(Dimethylsulfamoyl)aniline Synonym
- N,N-Dimethylsulfanilamide Synonym
- 4-(Dimethylaminosulfonyl)aniline Synonym
- 4-(N,N-Dimethylsulfamoyl)aniline Synonym
- [(4-Aminophenyl)sulfonyl]dimethylamine Synonym
- NSC 110777 Synonym
- N,N-Dimethyl-4-aminobenzenesulfonamide Synonym
- 4-Amino-N,N-dimethylbenzene-1-sulfonamide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.26 g/mol | CAS Common Chemistry |
| 200.263 g/mol | RDKit | |
| 200.256 g/mol | chempirical lib | |
| 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 |
| 63.4 Ų | RDKit | |
| LogP | 0.5191 | RDKit |
| Molar Refractivity | 51.727200000000025 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.25 | RDKit |
| Exact Mass | 200.061948624 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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
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MW = 200.26 g/mol. Edit any field — others recompute live.
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