Basic information
- CAS
113559-10-7- Standard SMILES
CS(=O)(=O)Nc1ccc(C(=O)C2CCN(Cc3ccncc3)CC2)cc1.Cl.Cl- InChIKey
PIPWPNPJJWEVBD-UHFFFAOYSA-N- Molecular formula
- C19H25Cl2N3O3S
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 445.09936802
Names & identifiers
- Preferred name
- Methanesulfonamide, N-(4-((1-(4-pyridinylmethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride
- IUPAC
- N-[4-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride
Names & synonyms
Methanesulfonamide, N-(4-((1-(4-pyridinylmethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride4-(4-Methylsulfonylaminobenzoyl)-1-(4-pyridyl)methylpiperidine dihydrochloride113559-10-7DTXSID60150459RefChem:352238DTXCID8072950SCHEMBL9444437PIPWPNPJJWEVBD-UHFFFAOYSA-N4-(4-Methylsulfonylaminobenzoyl)-1-(4-pyridylmethyl)-piperidine dihydrochloride4-(4-Methylsulfonylaminobenzoyl)-1-(4-pyridylmethyl)piperidine dihydrochlorideN-(4-{1-[(Pyridin-4-yl)methyl]piperidine-4-carbonyl}phenyl)methanesulfonamide--hydrogen chloride (1/2)
Database identifiers
- CAS
113559-10-7- PubChem CID
- 3087186
- DTXSID
DTXSID60150459
Properties
Computed structural properties
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 553
Related reactions
4 records
Compound notes
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