Basic information
- Standard SMILES
O=S(=O)(c1ccccc1)N1CCN(CC(O)CCl)CC1- InChIKey
BUQOEFHDRQXASP-UHFFFAOYSA-N- Molecular formula
- C13H19ClN2O3S
- Average molar mass
- 318.82 g/mol
Names & identifiers
- Preferred name
- 1-Benzenesulfonyl-4-(3-chloro-2-hydroxypropyl)piperazine
- IUPAC
- 1-[4-(benzenesulfonyl)piperazin-1-yl]-3-chloropropan-2-ol
Names & synonyms
SCHEMBL9502114BUQOEFHDRQXASP-UHFFFAOYSA-N1-benzenesulfonyl-4-(3-chloro-2-hydroxypropyl)piperazine
Database identifiers
- PubChem CID
- 14719872
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Related reactions
2 records
Compound notes
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