1-((2-Nitrophenyl)sulfonyl)piperidine
Basic information
- CAS
314283-05-1- Standard SMILES
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCCC1- InChIKey
AACRWZVDRSTLKY-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4S
- Average molar mass
- 270.31 g/mol
- Monoisotopic mass
- 270.06742811
Overview
1-(2-nitrophenyl)sulfonylpiperidine is a sulfonamide.
Names & identifiers
- Preferred name
- 1-((2-Nitrophenyl)sulfonyl)piperidine
- IUPAC
- 1-(2-nitrophenyl)sulfonylpiperidine
- English name
- 1-[(2-nitrophenyl)sulfonyl]piperidine
- Molecular formula
- C11H14N2O4S
- Molecular weight
- 270.3
Names & synonyms
1-((2-Nitrophenyl)sulfonyl)piperidine314283-05-11-[(2-nitrophenyl)sulfonyl]piperidineDTXSID00355345RefChem:222051DTXCID703064051-(2-Nitrophenylsulfonyl)piperidine1-(2-nitrophenyl)sulfonylpiperidineMFCD005146021-(2-Nitro-benzenesulfonyl)-piperidineMLS0005483581-(2-Nitrobenzene-1-sulfonyl)piperidine
Show more names
Piperidine, 1-[(2-nitrophenyl)sulfonyl]-
SMR000171739Oprea1_264009Oprea1_320341CBDivE_001006cid_796971SCHEMBL7647475CHEMBL1424436SCHEMBL28137833
Database identifiers
- CAS
314283-05-1- PubChem CID
- 796971
- DTXSID
DTXSID00355345- ChEMBL
CHEMBL1424436- ChEBI
CHEBI:109746
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Melting point
- 95 °C · 95 °C(Solv: ethanol (64-17-5))
- Boiling point
- 436.6 · 436.6±47.0 °C(Predicted)
- Density
- 1.374 · 1.374±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- -5.73 · -5.73±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Additional notes
DefinitionChEBI: 1-(2-nitrophenyl)sulfonylpiperidine is a sulfonamide.
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Related reactions
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Compound notes
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