Basic information
- Standard SMILES
CC1c2ccccc2-c2ccc(Cl)cc2N1S(=O)(=O)c1cccc(O)c1- InChIKey
IJDHRUKOANYXMI-UHFFFAOYSA-N- Molecular formula
- C20H16ClNO3S
- Average molar mass
- 385.9 g/mol
Names & identifiers
- Preferred name
- 3-[(3-Chloro-6-methylphenanthridin-5(6H)-yl)sulfonyl]phenol
- IUPAC
- 3-[(3-chloro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol
Names & synonyms
SCHEMBL5213881IJDHRUKOANYXMI-UHFFFAOYSA-N3-[(3-Chloro-6-methylphenanthridin-5(6H)-yl)sulfonyl]phenol
Database identifiers
- PubChem CID
- 22482291
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 607
Related reactions
2 records
Compound notes
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