3-[[3-[[2-(3-Chlorophenoxy)acetyl]amino]phenyl]carbamoylamino]benzenesulfonyl fluoride
Basic information
- CAS
18705-02-7- Standard SMILES
O=C(COc1cccc(Cl)c1)Nc1cccc(NC(=O)Nc2cccc(S(=O)(=O)F)c2)c1- InChIKey
QAPTXNNPIOOQEI-UHFFFAOYSA-N- Molecular formula
- C21H17ClFN3O5S
- Average molar mass
- 477.9 g/mol
- Monoisotopic mass
- 477.0561477
Names & identifiers
- Preferred name
- 3-[[3-[[2-(3-Chlorophenoxy)acetyl]amino]phenyl]carbamoylamino]benzenesulfonyl fluoride
- IUPAC
- 3-[[3-[[2-(3-chlorophenoxy)acetyl]amino]phenyl]carbamoylamino]benzenesulfonyl fluoride
Names & synonyms
18705-02-7NSC2118273-[[3-[[2-(3-chlorophenoxy)acetyl]amino]phenyl]carbamoylamino]benzenesulfonyl fluorideDTXSID30309351NSC-2118273-[({3-[2-(3-Chlorophenoxy)acetamido]phenyl}carbamoyl)amino]benzene-1-sulfonyl fluoride
Database identifiers
- CAS
18705-02-7- PubChem CID
- 309531
- DTXSID
DTXSID30309351
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 750
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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