6-Fluoro-2-[(3-methoxy-5-methylphenyl)sulfonyl]benzenecarbonitrile
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Basic information
- Standard SMILES
COc1cc(C)cc(S(=O)(=O)c2cccc(F)c2C#N)c1- InChIKey
YZKZBQADTUZVGT-UHFFFAOYSA-N- Molecular formula
- C15H12FNO3S
- Average molar mass
- 305.3 g/mol
- Monoisotopic mass
- 305.05219258
Names & identifiers
- Preferred name
- 6-Fluoro-2-[(3-methoxy-5-methylphenyl)sulfonyl]benzenecarbonitrile
- IUPAC
- 2-fluoro-6-(3-methoxy-5-methylphenyl)sulfonylbenzonitrile
Names & synonyms
CHEMBL292381SCHEMBL8410317YZKZBQADTUZVGT-UHFFFAOYSA-N6-Fluoro-2-[(3-methoxy-5-methylphenyl)sulfonyl]benzenecarbonitrile2-fluoro-6-(3-methoxy-5-methyl-phenyl)sulfonyl-benzonitrile2-Fluoro-6-[(3 -methyl-5-methoxyphenyl)sulfonyl]benzonitrile
Database identifiers
- PubChem CID
- 486358
- ChEMBL
CHEMBL292381
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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