Basic information
- Standard SMILES
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCP(=O)(O)O)c2)C1- InChIKey
VOTPKUMAGMQNDX-UHFFFAOYSA-N- Molecular formula
- C17H19Cl2N2O5PS
- Average molar mass
- 465.3 g/mol
Names & identifiers
- Preferred name
- (3-(6,8-Dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)methylphosphonic acid
- IUPAC
- [[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfonylamino]methylphosphonic acid
Names & synonyms
SCHEMBL2576150VOTPKUMAGMQNDX-UHFFFAOYSA-N(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)methylphosphonic acid
Database identifiers
- PubChem CID
- 67459002
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 700
Related reactions
4 records
Compound notes
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