Basic information
- CAS
107785-25-1- Standard SMILES
O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2)CC1- InChIKey
BLBMBKATZISMKR-UHFFFAOYSA-N- Molecular formula
- C17H20N2O2S
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12454906
Names & identifiers
- Preferred name
- 1-(Benzenesulfonyl)-4-benzylpiperazine
- IUPAC
- 1-(benzenesulfonyl)-4-benzylpiperazine
- English name
- 1-benzyl-4-(phenylsulfonyl)piperazine
- Molecular formula
- C17H20N2O2S
- Molecular weight
- 316.42
Names & synonyms
1-(benzenesulfonyl)-4-benzylpiperazine1-benzyl-4-(phenylsulfonyl)piperazine107785-25-1CHEMBL2725511-Benzenesulfonyl-4-benzyl-piperazineCambridge id 5268248Oprea1_184079Oprea1_836074MLS001204514F0777-0865SCHEMBL6750742SCHEMBL7131206
Show more names
Piperazine, 1-(phenylmethyl)-4-(phenylsulfonyl)-
DTXSID901332548HMS1677D02HMS2831D07HMS5214C151-Benzolsulfonyl-4-benzyl-piperazinBDBM50435875CCG-19293EBC-06698
Database identifiers
- CAS
107785-25-1- PubChem CID
- 711024
- DTXSID
DTXSID901332548- ChEMBL
CHEMBL272551- Nikkaji
- J1.047.770K
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 426
Experimental & physicochemical properties
Solubility0.5 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 457.1 · 457.1±55.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 6.04 · 6.04±0.10(Predicted)
Chemistry & industry
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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