3-[[4-[[[2-(3-Chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoyl]benzenesulfonyl fluoride
Basic information
- CAS
16711-87-8- Standard SMILES
O=C(COc1cccc(Cl)c1)NCc1ccc(NC(=O)c2cccc(S(=O)(=O)F)c2)cc1- InChIKey
RAUZRBHYAZBNKU-UHFFFAOYSA-N- Molecular formula
- C22H18ClFN2O5S
- Average molar mass
- 476.9 g/mol
- Monoisotopic mass
- 476.0608987
Names & identifiers
- Preferred name
- 3-[[4-[[[2-(3-Chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoyl]benzenesulfonyl fluoride
- IUPAC
- 3-[[4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoyl]benzenesulfonyl fluoride
Names & synonyms
16711-87-8NSC210885DTXSID60309041NSC-2108853-[[4-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoyl]benzenesulfonyl fluoride3-[(4-{[2-(3-Chlorophenoxy)acetamido]methyl}phenyl)carbamoyl]benzene-1-sulfonyl fluoride
Database identifiers
- CAS
16711-87-8- PubChem CID
- 308807
- DTXSID
DTXSID60309041
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
- 739
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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