Basic information
- CAS
5430-47-7- Standard SMILES
O=S(=O)(Nc1ccccc1)N1CCCCC1- InChIKey
RSMSUJCQDFWPOJ-UHFFFAOYSA-N- Molecular formula
- C11H16N2O2S
- Average molar mass
- 240.32 g/mol
- Monoisotopic mass
- 240.09324893
Names & identifiers
- Preferred name
- 1-Piperidinesulfonanilide
- IUPAC
- N-phenylpiperidine-1-sulfonamide
- English name
- 1-Piperidinesulfonamide, N-phenyl-
- Molecular formula
- C11H16N2O2S
- Molecular weight
- 240.32
Names & synonyms
1-PiperidinesulfonanilideN-phenylpiperidine-1-sulfonamide5430-47-7MLS002638338NSC13802Oprea1_073759Oprea1_526383IFLab1_005208SCHEMBL2512424CHEMBL2138087N-phenyl-1-piperidinesulfonamideDTXSID20279716
Show more names
1-Piperidinesulfonamide, N-phenyl-
HMS1426M16NSC-13802AKOS003632122SMR001547824DS-012094EU-0047424SR-01000083710SR-01000083710-1
Database identifiers
- CAS
5430-47-7- PubChem CID
- 224936
- DTXSID
DTXSID20279716- ChEMBL
CHEMBL2138087
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 57.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 298
Physicochemical properties
- Melting point
- 83 °C · 83 °C
- Boiling point
- 374.2 · 374.2±25.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 8.58 · 8.58±0.20(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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