Basic information
- CAS
113559-81-2- Standard SMILES
CS(=O)(=O)Nc1ccc(C(=O)C2CCN(Cc3cnc4ccccc4c3)CC2)cc1.Cl.Cl- InChIKey
NMTDDNKTKJNDFK-UHFFFAOYSA-N- Molecular formula
- C23H27Cl2N3O3S
- Average molar mass
- 496.4 g/mol
- Monoisotopic mass
- 495.1150183
Names & identifiers
- Preferred name
- Methanesulfonamide, N-(4-((1-(3-quinolinylmethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride
- IUPAC
- N-[4-[1-(quinolin-3-ylmethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride
Names & synonyms
Methanesulfonamide, N-(4-((1-(3-quinolinylmethyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride4-(4-Methylsulfonylaminobenzoyl)-1-(3-quinolylmethyl)piperidine dihydrochloride113559-81-2DTXSID90150467RefChem:352237DTXCID8072958SCHEMBL9444326N-(4-{1-[(Quinolin-3-yl)methyl]piperidine-4-carbonyl}phenyl)methanesulfonamide--hydrogen chloride (1/2)
Database identifiers
- CAS
113559-81-2- PubChem CID
- 3087201
- DTXSID
DTXSID90150467
Properties
Computed structural properties
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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