3-[[3-[[[2-(3-Chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoyl]benzenesulfonyl fluoride
Basic information
- CAS
16711-88-9- Standard SMILES
O=C(COc1cccc(Cl)c1)NCc1cccc(NC(=O)c2cccc(S(=O)(=O)F)c2)c1- InChIKey
OCOBAVFEDHKYND-UHFFFAOYSA-N- Molecular formula
- C22H18ClFN2O5S
- Average molar mass
- 476.9 g/mol
- Monoisotopic mass
- 476.0608987
Names & identifiers
- Preferred name
- 3-[[3-[[[2-(3-Chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoyl]benzenesulfonyl fluoride
- IUPAC
- 3-[[3-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoyl]benzenesulfonyl fluoride
Names & synonyms
16711-88-9NSC2118383-[[3-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoyl]benzenesulfonyl fluorideDTXSID80309361NSC-2118383-[(3-{[2-(3-Chlorophenoxy)acetamido]methyl}phenyl)carbamoyl]benzene-1-sulfonyl fluoride
Database identifiers
- CAS
16711-88-9- PubChem CID
- 309542
- DTXSID
DTXSID80309361
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 747
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…