4-[[3-[[2-(3-Chlorophenoxy)acetyl]amino]phenyl]carbamoyl]benzenesulfonyl fluoride
Basic information
- CAS
20209-70-5- Standard SMILES
O=C(COc1cccc(Cl)c1)Nc1cccc(NC(=O)c2ccc(S(=O)(=O)F)cc2)c1- InChIKey
AIIZDAXNUMNNSL-UHFFFAOYSA-N- Molecular formula
- C21H16ClFN2O5S
- Average molar mass
- 462.9 g/mol
- Monoisotopic mass
- 462.0452486
Names & identifiers
- Preferred name
- 4-[[3-[[2-(3-Chlorophenoxy)acetyl]amino]phenyl]carbamoyl]benzenesulfonyl fluoride
- IUPAC
- 4-[[3-[[2-(3-chlorophenoxy)acetyl]amino]phenyl]carbamoyl]benzenesulfonyl fluoride
Names & synonyms
20209-70-5NSC2118214-[[3-[[2-(3-chlorophenoxy)acetyl]amino]phenyl]carbamoyl]benzenesulfonyl fluorideDTXSID20309345NSC-2118214-({3-[2-(3-Chlorophenoxy)acetamido]phenyl}carbamoyl)benzene-1-sulfonyl fluoride
Database identifiers
- CAS
20209-70-5- PubChem CID
- 309525
- DTXSID
DTXSID20309345
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 724
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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