1-Ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
Basic information
- CAS
708244-27-3- Standard SMILES
CCN1CCN(S(=O)(=O)c2ccc(OC)c3ccccc23)CC1- InChIKey
BDNMIVMPRSPUCT-UHFFFAOYSA-N- Molecular formula
- C17H22N2O3S
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.13511374
Names & identifiers
- Preferred name
- 1-Ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
- IUPAC
- 1-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine
Names & synonyms
708244-27-31-ethyl-4-(4-methoxynaphthalen-1-yl)sulfonylpiperazine1-ethyl-4-((4-methoxynaphthalen-1-yl)sulfonyl)piperazine1-ethyl-4-[(4-methoxynaphthalen-1-yl)sulfonyl]piperazineMLS001205481CHEMBL17238871-Ethyl-4-(4-methoxy-naphthalene-1-sulfonyl)-piperazineDTXSID601332501STK353998AKOS000601148SMR000524168ST085379
Show more names
4-ethyl-1-[(4-methoxynaphthyl)sulfonyl]piperazine1-Ethyl-4-(4-methoxynaphthalene-1-sulfonyl)piperazineF1639-0158Z408144932
Database identifiers
- CAS
708244-27-3- PubChem CID
- 972083
- DTXSID
DTXSID601332501- ChEMBL
CHEMBL1723887
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Experimental & physicochemical properties
Solubility29.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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