Basic information
- Standard SMILES
O=S(=O)(NCc1ccc(CNC2CCCc3cccnc32)cc1)c1ccccn1- InChIKey
CVHPXIWRKGGSAJ-UHFFFAOYSA-N- Molecular formula
- C22H24N4O2S
- Average molar mass
- 408.5 g/mol
- Monoisotopic mass
- 408.16199719
Names & identifiers
- Preferred name
- Pyridine-2-sulfonic acid 4-[(5,6,7,8-tetrahydro-quinolin-8-ylamino)-methyl]-benzylamide
- IUPAC
- N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]pyridine-2-sulfonamide
Names & synonyms
SCHEMBL4065202CVHPXIWRKGGSAJ-UHFFFAOYSA-NPyridine-2-sulfonic acid 4-[(5,6,7,8-tetrahydro-quinolin-8-ylamino)-methyl]-benzylamide
Database identifiers
- PubChem CID
- 10179646
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 600
Related reactions
6 records
Compound notes
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