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4-Amino-6-Chloro-1,3-Benzenedisulfonamide
CAS: 121-30-2 | C6H8ClN3O4S2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
121-30-2
Molecular Formula:
C6H8ClN3O4S2
Molecular Mass:
285.73 g/mol
Names and Synonyms:
4-Amino-6-Chloro-1,3-Benzenedisulfonamide
1,3-Benzenedisulfonamide, 4-amino-6-chloro-
m-Benzenedisulfonamide, 4-amino-6-chloro-
4-Amino-6-chloro-1,3-benzenedisulfonamide
1-Amino-5-chloro-2,4-benzenedisulfonamide
4-Amino-6-chloro-m-benzenedisulfonamide
Salmid
Su 5683
4-Amino-6-chlorobenzene-1,3-disulfonamide
5-Chloro-2,4-disulfamoylaniline
Chloraminophenamide
Chloroaminophenamide
Idorese
Salamid
3-Chloro-4,6-disulfamoylaniline
Salamide
Salamide (diuretic)
NSC 93772
4-Amino-6-chlorobenzene-1,3-disulphonamide
Identifiers:
SMILES:
Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O
InChI:
InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
Key Properties
Melting Point
254.5 °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 | 285.73 g/mol | CAS Common Chemistry |
| 285.73400000000004 g/mol | RDKit | |
| 284.96447541599997 g/mol | RDKit | |
| Canonical SMILES | O=S(=O)(N)C=1C=C(C(N)=CC1Cl)S(=O)(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14) | CAS Common Chemistry |
| InChI Key | InChIKey=IHJCXVZDYSXXFT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 254.5 °C | CAS Common Chemistry |
| Name | 4-Amino-6-chloro-1,3-benzenedisulfonamide | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 146.34 Ų | RDKit |
| LogP | -0.7829999999999995 | RDKit |
| Molar Refractivity | 58.610800000000005 | RDKit |
