Basic information
- CAS
5158-54-3- Standard SMILES
O=S(=O)(Nc1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1- InChIKey
VMBXKJCIFLCWNO-UHFFFAOYSA-N- Molecular formula
- C18H15ClN2O4S2
- Average molar mass
- 422.9 g/mol
- Monoisotopic mass
- 422.016177
Names & identifiers
- Preferred name
- Mls002639254
- IUPAC
- N-[4-(benzenesulfonamido)-3-chlorophenyl]benzenesulfonamide
Names & synonyms
5465-40-7MLS002639254DTXSID502829705158-54-3RefChem:357168DTXCID00234121n,n'-(2-chloro-1,4-phenylene)dibenzenesulfonamideCHEMBL448073N-[4-(benzenesulfonamido)-2-chloro-phenyl]benzenesulfonamideCambridge id 5158543NSC29006SCHEMBL3781935
Show more names
HMS3080O19BDBM50268244NSC-29006AKOS002306394SMR001548700ST50774378SR-01000197318SR-01000197318-1
Database identifiers
- CAS
5158-54-3、5465-40-7- PubChem CID
- 232004
- DTXSID
DTXSID50282970- ChEMBL
CHEMBL448073
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 675
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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