Dimerasulfa
Basic information
- CAS
76391-88-3- Standard SMILES
Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1CCS(=O)(=O)O- InChIKey
MOGPSKQQAYUJOK-UHFFFAOYSA-N- Molecular formula
- C14H18N4O5S2
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.07186203
Names & identifiers
- Preferred name
- Dimerasulfa
- IUPAC
- 2-[2-[(4-aminophenyl)sulfonylamino]-4,6-dimethylpyrimidin-5-yl]ethanesulfonic acid
Names & synonyms
Dimerasulfa76391-88-3DTXSID502272255-Pyrimidineethanesulfonic acid, 2-(((4-aminophenyl)sulfonyl)amino)-4,6-dimethyl-RefChem:134153DTXCID501497162-Sulfanilamido-4,6-dimethylpyrimidineethanesulfonic acid2-[2-(4-Aminobenzene-1-sulfonamido)-4,6-dimethylpyrimidin-5-yl]ethane-1-sulfonic acid
Database identifiers
- CAS
76391-88-3- PubChem CID
- 192081
- DTXSID
DTXSID50227225
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 623
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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