Basic information
- CAS
113845-16-2- Standard SMILES
CCCN(F)S(=O)(=O)c1ccc(C)cc1- InChIKey
ANWSCQFYUDOLCH-UHFFFAOYSA-N- Molecular formula
- C10H14FNO2S
- Average molar mass
- 231.29 g/mol
- Monoisotopic mass
- 231.07292802
Names & identifiers
- Preferred name
- N-Fluoro-4-methyl-N-propylbenzene-1-sulfonamide
- IUPAC
- N-fluoro-4-methyl-N-propylbenzenesulfonamide
- English name
- N-fluoro-N-propyl-p-toluenesulfonamide
- Molecular formula
- C10H14FNO2S
- Molecular weight
- 231.29
Names & synonyms
113845-16-2N-Fluoro-4-methyl-N-propylbenzene-1-sulfonamideDTXSID40403591RefChem:364064DTXCID10354445N-fluoro-4-methyl-N-propylbenzenesulfonamideSCHEMBL1738729N-fluoro-N-propyl-p-toluenesulfonamideBenzenesulfonamide, N-fluoro-4-methyl-N-propyl-
Database identifiers
- CAS
113845-16-2- PubChem CID
- 4466166
- DTXSID
DTXSID40403591
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 318.1 · 318.1±35.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- -16.79 · -16.79±0.70(Predicted)
- RIDADR
- 1760 · 1760
- HazardClass
- 8 · 8
- PackingGroup
- III
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
- ridadr
- 1760
- hazard_class
- 8
- packing_group
- III
Chemistry & industry
Suppliers1 total
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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