6-Fluoro-2-[(3-methoxy-5-methylphenyl)sulfonyl]benzenecarbonitrile

HCID 486358
Substructure searchFind similar structures

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 properties

XLogP
2.9
Topological polar surface area
75.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

Loading…