Basic information
- CAS
35758-43-1- Standard SMILES
COc1ccc(S(N)(=O)=O)cc1C(=O)NCC1CC2CCN1CC2- InChIKey
AHJQEXSBDQDNII-UHFFFAOYSA-N- Molecular formula
- C16H23N3O4S
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.1409274
Names & identifiers
- Preferred name
- Benzamide, 2-methoxy-N-(2-quinuclidinylmethyl)-5-sulfamoyl-, hemihydrate
- IUPAC
- N-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-2-methoxy-5-sulfamoylbenzamide
Names & synonyms
2-Methoxy-N-(2-quinuclidinylmethyl)-5-sulfamoylbenzamide hemihydrate35758-43-1Benzamide, 2-methoxy-N-(2-quinuclidinylmethyl)-5-sulfamoyl-, hemihydrateRefChem:321459DTXSID30957154N-[(1-Azabicyclo[2.2.2]octan-2-yl)methyl]-2-methoxy-5-sulfamoylbenzene-1-carboximidic acid
Database identifiers
- CAS
35758-43-1- PubChem CID
- 215481
- DTXSID
DTXSID30957154- Nikkaji
- J383.946J
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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