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Molecule
Dichlorphenamide
CAS: 120-97-8 · C6H6Cl2N2O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 120-97-8
- Molecular Formula
- C6H6Cl2N2O4S2
- Molecular Mass
- 305.16 g/mol
Identifiers
CAS Registry Number
120-97-8
SMILES
NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChI Key
GJQPMPFPNINLKP-UHFFFAOYSA-N
InChI
InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
Names and Synonyms
- Dichlorphenamide Common Name
- 1,3-Benzenedisulfonamide, 4,5-dichloro- Synonym
- m-Benzenedisulfonamide, 4,5-dichloro- Synonym
- 4,5-Dichloro-1,3-benzenedisulfonamide Synonym
- Daranide Synonym
- Dichlofenamide Synonym
- 4,5-Dichloro-m-benzenedisulfonamide Synonym
- 4,5-Dichloro-1,3-disulfamoylbenzene Synonym
- Dichlorophenamide Synonym
- 3,4-Dichloro-5-sulfamylbenzenesulfonamide Synonym
- Dichlorphenamide Synonym
- Oratrol Synonym
- 1,3-Disulfamyl-4,5-dichlorobenzene Synonym
- Antidrasi Synonym
- 1,3-Disulfamoyl-4,5-dichlorobenzene Synonym
- Daramide Synonym
- Diclofenamid Synonym
- Glaucol Synonym
- Diclofenamide Synonym
- CB 8000 Synonym
- Keveyis Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 305.16 g/mol | CAS Common Chemistry |
| 305.16400000000004 g/mol | RDKit | |
| 305.164 g/mol | RDKit | |
| 305.144 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(N)C1=CC(Cl)=C(Cl)C(=C1)S(=O)(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=GJQPMPFPNINLKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 239-241 °C | CAS Common Chemistry |
| Name | Dichlorphenamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 120.32 Ų | RDKit |
| LogP | 0.2882000000000006 | RDKit |
| 0.2882 | RDKit | |
| Molar Refractivity | 59.208400000000005 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 303.91460403199994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
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MW = 305.16 g/mol. Edit any field — others recompute live.
