4-fluoro-N-[2,2,2-trifluoro-1-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-1-(trifluoromethyl)ethyl]benzamide
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Basic information
- CAS
489419-53-6- Standard SMILES
CS(=O)(=O)c1ccc2nc(NC(NC(=O)c3ccc(F)cc3)(C(F)(F)F)C(F)(F)F)sc2c1- InChIKey
GXVBFVXBNFSEGH-UHFFFAOYSA-N- Molecular formula
- C18H12F7N3O3S2
- Average molar mass
- 515.4 g/mol
- Monoisotopic mass
- 515.02083073
Names & identifiers
- Preferred name
- 4-fluoro-N-[2,2,2-trifluoro-1-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-1-(trifluoromethyl)ethyl]benzamide
- IUPAC
- 4-fluoro-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-yl]benzamide
- English name
- 4-fluoro-N-[2,2,2-trifluoro-1-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-1-(trifluoromethyl)ethyl]benzamide
- Molecular formula
- C18H12F7N3O3S2
- Molecular weight
- 515.4250024
Names & synonyms
4-fluoro-N-[2,2,2-trifluoro-1-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]amino}-1-(trifluoromethyl)ethyl]benzamideAKOS0032949534-fluoro-N-[1,1,1,3,3,3-hexafluoro-2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]propan-2-yl]benzamideAG-389/15452433
Database identifiers
- CAS
489419-53-6- PubChem CID
- 1716831
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 810
Related reactions
0 records
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Compound notes
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