Basic information
- Standard SMILES
CNCC(O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O- InChIKey
PHSDSMUCNUCJGQ-UHFFFAOYSA-N- Molecular formula
- C17H20FN3O3S
- Average molar mass
- 365.4 g/mol
Names & identifiers
- Preferred name
- 2,1,3-Benzothiadiazole-1(3H)-propanol, 3-(2-fluorophenyl)-alpha-[(methylamino)methyl]-, 2,2-dioxide, (alphaS)-
- IUPAC
- 4-[3-(2-fluorophenyl)-2,2-dioxo-2λ6,1,3-benzothiadiazol-1-yl]-1-(methylamino)butan-2-ol
Names & synonyms
2,1,3-Benzothiadiazole-1(3H)-propanol, 3-(2-fluorophenyl)-alpha-[(methylamino)methyl]-, 2,2-dioxide, (alphaS)-SCHEMBL3599493CHEMBL1083083
Database identifiers
- PubChem CID
- 24937759
- ChEMBL
CHEMBL1083083
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 81.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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