4-(Piperidine-1-sulfonyl)benzonitrile
Basic information
- CAS
227935-30-0- Standard SMILES
N#Cc1ccc(S(=O)(=O)N2CCCCC2)cc1- InChIKey
ALZPXRNJBCXSFR-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2S
- Average molar mass
- 250.32 g/mol
- Monoisotopic mass
- 250.07759887
Names & identifiers
- Preferred name
- 4-(Piperidine-1-sulfonyl)benzonitrile
- IUPAC
- 4-piperidin-1-ylsulfonylbenzonitrile
- English name
- 4-(piperidine-1-sulfonyl)benzonitrile
- Molecular formula
- C12H14N2O2S
- Molecular weight
- 250.32
Names & synonyms
4-(Piperidine-1-sulfonyl)benzonitrile227935-30-04-piperidin-1-ylsulfonylbenzonitrile4-(1-piperidylsulfonyl)benzonitrileMFCD00512381HMS527O15Cerep_000613SCHEMBL3633792DTXSID00425158ALZPXRNJBCXSFR-UHFFFAOYSA-N1-[(4-cyanophenyl)sulfonyl]piperidineAKOS000198411
Show more names
4-(1-piperidinylsulfonyl)benzonitrileBenzonitrile, 4-(1-piperidinylsulfonyl)-
SB432964-(piperidine-1-sulfonyl)-benzonitrileBS-25384DA-22950SY398347CS-0205470Z45498119
Database identifiers
- CAS
227935-30-0- PubChem CID
- 6733570
- DTXSID
DTXSID00425158- Nikkaji
- J2.904.795B
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 390
Physicochemical properties
- Melting point
- 134 · 134-135 °C
- Boiling point
- 423.2 · 423.2±47.0 °C(Predicted)
- Density
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- pka
- -6.11 · -6.11±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
3 records
Compound notes
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