Basic information
- CAS
62190-14-1- Standard SMILES
COc1ccc(S(N)(=O)=O)cc1C(=O)NCCC1CN2CCC1CC2- InChIKey
LCGFRLAIITYQMT-UHFFFAOYSA-N- Molecular formula
- C17H25N3O4S
- Average molar mass
- 367.5 g/mol
- Monoisotopic mass
- 367.15657746
Names & identifiers
- Preferred name
- Benzamide, 2-methoxy-N-(2-(3-quinuclidinyl)ethyl)-5-sulfamoyl-
- IUPAC
- N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
- English name
- 2-Methoxy-N-[2-(3-quinuclidinyl)ethyl]-5-sulfamoylbenzamide
- Molecular formula
- C17H25N3O4S
- Molecular weight
- 367.46
Names & synonyms
62190-14-1BRN 04466332-Methoxy-N-(2-(3-quinuclidinyl)ethyl)-5-sulfamoylbenzamide5-22-08-00248 (Beilstein Handbook Reference)BENZAMIDE, 2-METHOXY-N-(2-(3-QUINUCLIDINYL)ETHYL)-5-SULFAMOYL-2-Methoxy-N-[2-(3-quinuclidinyl)ethyl]-5-sulfamoylbenzamideRefChem:321457DTXSID60977769DB-217436N-[2-(1-Azabicyclo[2.2.2]octan-3-yl)ethyl]-2-methoxy-5-sulfamoylbenzene-1-carboximidic acidN-[2-(1-aza-bicyclo[2.2.2]oct-3-yl)-ethyl]-2-methoxy-5-sulfamoyl-benzamideBenzamide, 5-(aminosulfonyl)-N-[2-(1-azabicyclo[2.2.2]oct-3-yl)ethyl]-2-methoxy-
Database identifiers
- CAS
62190-14-1- PubChem CID
- 43945
- DTXSID
DTXSID60977769- Nikkaji
- J149.156C
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 569
Physicochemical properties
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- pka
- 9.99 · 9.99±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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