Basic information
- CAS
942474-89-7- Standard SMILES
CS(=O)(=O)c1ccc(N2CCCC(C(N)=O)C2)c(Cl)c1- InChIKey
NDFKJHXZDFOVPE-UHFFFAOYSA-N- Molecular formula
- C13H17ClN2O3S
- Average molar mass
- 316.8 g/mol
Names & identifiers
- Preferred name
- 1-[2-Chloro-4-(methylsulfonyl)phenyl]piperidine-3-carboxamide
- IUPAC
- 1-(2-chloro-4-methylsulfonylphenyl)piperidine-3-carboxamide
- English name
- 1-[2-Chloro-4-(methylsulfonyl)phenyl]piperidine-3-carboxamide
- Molecular formula
- C13H17ClN2O3S
- Molecular weight
- 316.8
Names & synonyms
942474-89-71-[2-Chloro-4-(methylsulfonyl)phenyl]piperidine-3-carboxamide1-(2-Chloro-4-(methylsulfonyl)phenyl)piperidine-3-carboxamide1-(2-chloro-4-methylsulfonylphenyl)piperidine-3-carboxamide1-(2-chloro-4-methanesulfonylphenyl)piperidine-3-carboxamideAKOS0158499713-Piperidinecarboxamide, 1-[2-chloro-4-(methylsulfonyl)phenyl]-
Database identifiers
- CAS
942474-89-7
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Boiling point
- 602.4 · 602.4±55.0 °C(Predicted)
- Density
- 1.354 · 1.354±0.06 g/cm3(Predicted)
- pka
- 16.33 · 16.33±0.20(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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