Basic information
- Standard SMILES
COc1cccc(S(=O)(=O)N2c3cc(Cl)ccc3-c3ccccc3C2C)c1- InChIKey
PUZRPSZPYIPENX-UHFFFAOYSA-N- Molecular formula
- C21H18ClNO3S
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.0695923
Names & identifiers
- Preferred name
- 3-Chloro-5-[(3-methoxyphenyl)sulfonyl]-6-methyl-5,6-dihydrophenanthridine
- IUPAC
- 3-chloro-5-(3-methoxyphenyl)sulfonyl-6-methyl-6H-phenanthridine
Names & synonyms
SCHEMBL5211746PUZRPSZPYIPENX-UHFFFAOYSA-N3-Chloro-5-[(3-methoxyphenyl)sulfonyl]-6-methyl-5,6-dihydrophenanthridine
Database identifiers
- PubChem CID
- 22482385
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 621
Related reactions
5 records
Compound notes
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