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Basic information
- CAS
113559-12-9- Standard SMILES
CS(=O)(=O)Nc1ccc(C(=O)C2CCN(CCCc3ccncc3)CC2)cc1.Cl.Cl- InChIKey
ORCFKMLLIDEIRM-UHFFFAOYSA-N- Molecular formula
- C21H29Cl2N3O3S
- Average molar mass
- 474.4 g/mol
- Monoisotopic mass
- 473.13066815
Names & identifiers
- Preferred name
- Methanesulfonamide, N-(4-((1-(3-(4-pyridinyl)propyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride
- IUPAC
- N-[4-[1-(3-pyridin-4-ylpropyl)piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride
Names & synonyms
Methanesulfonamide, N-(4-((1-(3-(4-pyridinyl)propyl)-4-piperidinyl)carbonyl)phenyl)-, dihydrochloride4-(4-Methylsulfonylaminobenzoyl)-1-(3-(4-pyridyl)propyl)piperidine dihydrochloride113559-12-9DTXSID701504604-(4-Methylsulfonylaminobenzoyl)-1-[3-(4-pyridyl)propyl]piperidine dihydrochlorideRefChem:352236DTXCID3072951CHEMBL534461SCHEMBL9444317ORCFKMLLIDEIRM-UHFFFAOYSA-NN-(4-{1-[3-(Pyridin-4-yl)propyl]piperidine-4-carbonyl}phenyl)methanesulfonamide--hydrogen chloride (1/2)
Database identifiers
- CAS
113559-12-9- PubChem CID
- 3087188
- DTXSID
DTXSID70150460- ChEMBL
CHEMBL534461
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 583
Related reactions
3 records
Compound notes
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