Basic information
- CAS
92184-45-7- Standard SMILES
Nc1nc(N)c2cc(S(=O)(=O)Nc3cccc(Br)c3)ccc2n1- InChIKey
QTSNXDQKDYBOQS-UHFFFAOYSA-N- Molecular formula
- C14H12BrN5O2S
- Average molar mass
- 394.25 g/mol
- Monoisotopic mass
- 392.98951
Names & identifiers
- Preferred name
- 2,4-Diamino-quinazoline-6-sulfonic acid (3-bromo-phenyl)-amide
- IUPAC
- 2,4-diamino-N-(3-bromophenyl)quinazoline-6-sulfonamide
Names & synonyms
92184-45-72,4-Diamino-quinazoline-6-sulfonic acid (3-bromo-phenyl)-amide2,4-diamino-N-(3-bromophenyl)quinazoline-6-sulfonamideCHEMBL50281DTXSID30238915
Database identifiers
- CAS
92184-45-7- PubChem CID
- 516583
- DTXSID
DTXSID30238915- ChEMBL
CHEMBL50281
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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