Basic information
- Standard SMILES
CCC(Sc1nc(Nc2ccc(S(N)(=O)=O)nc2)ncc1Br)C(C)=O- InChIKey
RLTZXVJBMPNUFM-UHFFFAOYSA-N- Molecular formula
- C14H16BrN5O3S2
- Average molar mass
- 446.3 g/mol
Names & identifiers
- Preferred name
- 5-[5-Bromo-4-(1-ethyl-2-oxo-propylsulfanyl)-pyrimidin-2-ylamino]-pyridine-2-sulfonic acid amide
- IUPAC
- 5-[[5-bromo-4-(2-oxopentan-3-ylsulfanyl)pyrimidin-2-yl]amino]pyridine-2-sulfonamide
Names & synonyms
SCHEMBL5151974SCHEMBL14367841RLTZXVJBMPNUFM-UHFFFAOYSA-N5-[5-bromo-4-(1-ethyl-2-oxo-propylsulfanyl)-pyrimidin-2-ylamino]-pyridine-2-sulfonic acid amide
Database identifiers
- PubChem CID
- 58981835
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 559
Related reactions
3 records
Linked notes
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