Basic information
- Standard SMILES
CCC1CN(S(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1- InChIKey
LMKMSXHBILHSKM-UHFFFAOYSA-N- Molecular formula
- C14H17ClN2O2S2
- Average molar mass
- 344.9 g/mol
Names & identifiers
- Preferred name
- 1-[(6-Chlorobenzo[b]thien-2-yl)sulfonyl]-3-ethylpiperazine
- IUPAC
- 1-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-3-ethylpiperazine
Names & synonyms
SCHEMBL6735591LMKMSXHBILHSKM-UHFFFAOYSA-N1-[(6-Chlorobenzo[b]thien-2-yl)sulfonyl]-3-(ethyl)piperazine1-[(6-chlorobenzo[b]thien-2-yl)sulfonyl]-3-ethylpiperazine
Database identifiers
- PubChem CID
- 22709765
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 468
Related reactions
4 records
Compound notes
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