Completing data — refresh the page later to see the latest
Basic information
- CAS
827579-42-0- Standard SMILES
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1- InChIKey
WCGXAIQRCNDSPO-UHFFFAOYSA-N- Molecular formula
- C18H12Cl2N2O5S
- Average molar mass
- 439.3 g/mol
- Monoisotopic mass
- 437.98439784
Names & identifiers
- Preferred name
- N-[2-(2,4-dichlorophenoxy)phenyl]-4-nitrobenzenesulfonamide
- IUPAC
- N-[2-(2,4-dichlorophenoxy)phenyl]-4-nitrobenzenesulfonamide
Names & synonyms
827579-42-0N-[2-(2,4-dichlorophenoxy)phenyl]-4-nitrobenzenesulfonamideSCHEMBL5100996DTXSID50740227WCGXAIQRCNDSPO-UHFFFAOYSA-NN-[2-(2,4-Dichlorophenoxy)phenyl]-4-nitrobenzene-1-sulfonamide
Database identifiers
- CAS
827579-42-0- PubChem CID
- 69311367
- DTXSID
DTXSID50740227
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 631
Related reactions
2 records
Compound notes
Loading…