4-Amino-6-chloro-N1,N3-dimethyl-1,3-benzenedisulfonamide
Basic information
- CAS
1027-12-9- Standard SMILES
CNS(=O)(=O)c1cc(S(=O)(=O)NC)c(Cl)cc1N- InChIKey
OETUDWYVNUKHJY-UHFFFAOYSA-N- Molecular formula
- C8H12ClN3O4S2
- Average molar mass
- 313.8 g/mol
- Monoisotopic mass
- 312.9957759
Names & identifiers
- Preferred name
- 4-Amino-6-chloro-N1,N3-dimethyl-1,3-benzenedisulfonamide
- IUPAC
- 4-amino-6-chloro-1-N,3-N-dimethylbenzene-1,3-disulfonamide
- English name
- 4-Amino-6-chloro-N,N'-dimethyl-1,3-benzenedisulfonamide
- Molecular formula
- C8H12ClN3O4S2
- Molecular weight
- 313.78
Names & synonyms
1027-12-9m-Benzenedisulfonamide, 4-amino-6-chloro-N,N'-dimethyl-DTXSID00145460RefChem:1070289DTXCID20679514-amino-6-chloro-N1,N3-dimethyl-1,3-Benzenedisulfonamide4-amino-6-chloro-1-N,3-N-dimethylbenzene-1,3-disulfonamide4-Amino-6-chloro-N,N/'-dimethyl-1,3-benzenedisulfonamideK 572BRN 20093782-Chloro-6-amino-3,5-benzenedisulphonmethylamide4-Amino-6-chloro-N,N'-dimethyl-m-benzenedisulfonamide
Show more names
K-572Hydrochlorothiazide Impurity 294-Amino-6-chloro-N,N'-dimethyl-1,3-benzenedisulfonamide1,3-Benzenedisulfonamide, 4-amino-6-chloro-N1,N3-dimethyl-
2-Cloro-6-amino-3,5-benzenedisulfonmetilamide [Italian]2-Cloro-6-amino-3,5-benzenedisulfonmetilamide4-14-00-02810 (Beilstein Handbook Reference)ZINC01482003DA-212624-Amino-6-chloro-N~1~,N~3~-dimethylbenzene-1,3-disulfonamide
Database identifiers
- CAS
1027-12-9- PubChem CID
- 120952
- DTXSID
DTXSID00145460- Nikkaji
- J149.293D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Melting point
- 186 · 186-190 °C
- Boiling point
- 528.3 · 528.3±60.0 °C(Predicted)
- Density
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- pka
- 10.66 · 10.66±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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