Benzamide, N-(3-(1,2-diazabicyclo(2.2.2)oct-3-yl)propyl)-2-methoxy-5-sulfamoyl-
Basic information
- CAS
100243-27-4- Standard SMILES
COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCC1NN2CCC1CC2- InChIKey
RYVUSCLBWGINKK-UHFFFAOYSA-N- Molecular formula
- C17H26N4O4S
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.1674765
Names & identifiers
- Preferred name
- Benzamide, N-(3-(1,2-diazabicyclo(2.2.2)oct-3-yl)propyl)-2-methoxy-5-sulfamoyl-
- IUPAC
- N-[3-(1,2-diazabicyclo[2.2.2]octan-3-yl)propyl]-2-methoxy-5-sulfamoylbenzamide
- English name
- N-[3-[1,2-Diazabicyclo[2.2.2]octan-3-yl]propyl]-2-methoxy-5-sulfamoylbenzamide
- Molecular formula
- C17H26N4O4S
- Molecular weight
- 382.48
Names & synonyms
100243-27-4N-(3-(1,2-Diazabicyclo(2.2.2)oct-3-yl)propyl)-2-methoxy-5-sulfamoylbenzamideBENZAMIDE, N-(3-(1,2-DIAZABICYCLO(2.2.2)OCT-3-YL)PROPYL)-2-METHOXY-5-SULFAMOYL-RefChem:322290N-[3-(1,2-diazabicyclo[2.2.2]octan-3-yl)propyl]-2-methoxy-5-sulfamoylbenzamideN-[3-[1,2-Diazabicyclo[2.2.2]octan-3-yl]propyl]-2-methoxy-5-sulfamoylbenzamideBenzamide,5-(aminosulfonyl)-N-[3-(1,2-diazabicyclo[2.2.2]oct-3-yl)propyl]-2-methoxy-DTXSID70905290Benzamide, 5-(aminosulfonyl)-N-[3-(1,2-diazabicyclo[2.2.2]oct-3-yl)propyl]-2-methoxy-N-[3-(1,2-Diazabicyclo[2.2.2]octan-3-yl)propyl]-2-methoxy-5-sulfamoylbenzene-1-carboximidic acid
Database identifiers
- CAS
100243-27-4- PubChem CID
- 57648
- DTXSID
DTXSID70905290- Nikkaji
- J149.089C
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 586
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Compound notes
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