Basic information
- CAS
5430-54-6- Standard SMILES
COCc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Br- InChIKey
AICPUXCDOWQHMN-UHFFFAOYSA-N- Molecular formula
- C13H15BrN4O3S
- Average molar mass
- 387.25 g/mol
- Monoisotopic mass
- 386.00482
Names & identifiers
- Preferred name
- 4-Amino-n-[5-bromo-4-(methoxymethyl)-6-methylpyrimidin-2-yl]benzenesulfonamide
- IUPAC
- 4-amino-N-[5-bromo-4-(methoxymethyl)-6-methylpyrimidin-2-yl]benzenesulfonamide
Names & synonyms
NSC138114-amino-n-[5-bromo-4-(methoxymethyl)-6-methylpyrimidin-2-yl]benzenesulfonamide5430-54-6DTXSID30279722NSC-138114-amino-N-[5-bromo-4-(methoxymethyl)-6-methyl-pyrimidin-2-yl]benzenesulfonamide4-Amino-N-[5-bromo-4-(methoxymethyl)-6-methylpyrimidin-2-yl]benzene-1-sulfonamide
Database identifiers
- CAS
5430-54-6- PubChem CID
- 224945
- DTXSID
DTXSID30279722
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 451
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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