3-[[3-[[[2-(3-Chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
Basic information
- CAS
20209-65-8- Standard SMILES
O=C(COc1cccc(Cl)c1)NCc1cccc(NC(=O)Nc2cccc(S(=O)(=O)F)c2)c1- InChIKey
RIDKRQHYZJTNSQ-UHFFFAOYSA-N- Molecular formula
- C22H19ClFN3O5S
- Average molar mass
- 491.9 g/mol
- Monoisotopic mass
- 491.0717977
Names & identifiers
- Preferred name
- 3-[[3-[[[2-(3-Chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
- IUPAC
- 3-[[3-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoylamino]benzenesulfonyl fluoride
Names & synonyms
20209-65-8NSC2118073-[[3-[[[2-(3-chlorophenoxy)acetyl]amino]methyl]phenyl]carbamoylamino]benzenesulfonyl fluorideDTXSID90309337NSC-2118073-{[(3-{[2-(3-Chlorophenoxy)acetamido]methyl}phenyl)carbamoyl]amino}benzene-1-sulfonyl fluoride
Database identifiers
- CAS
20209-65-8- PubChem CID
- 309515
- DTXSID
DTXSID90309337
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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