Basic information
- Standard SMILES
COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1- InChIKey
DMVULQSHIFCBCO-UHFFFAOYSA-N- Molecular formula
- C18H18Cl2N2O4S
- Average molar mass
- 429.3 g/mol
- Monoisotopic mass
- 428.0364336
Names & identifiers
- Preferred name
- Methyl 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylbenzoate
- IUPAC
- methyl 2-[4-(3,5-dichlorophenyl)piperazin-1-yl]sulfonylbenzoate
Names & synonyms
SCHEMBL7077701
Database identifiers
- PubChem CID
- 69980207
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 609
Related reactions
1 records
Compound notes
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