Basic information
- Standard SMILES
C=CS(=O)(=O)Nc1cccc2c(=O)c(C)c(-c3ccccc3)oc12- InChIKey
KRXDDOHWJGTKJR-UHFFFAOYSA-N- Molecular formula
- C18H15NO4S
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.07217913
Names & identifiers
- Preferred name
- 8-(ethenylsulfonylamino)-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran
- IUPAC
- N-(3-methyl-4-oxo-2-phenylchromen-8-yl)ethenesulfonamide
Names & synonyms
SCHEMBL8877052KRXDDOHWJGTKJR-UHFFFAOYSA-N8-(ethenylsulfonylamino)-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran
Database identifiers
- PubChem CID
- 19972816
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 640
Related reactions
2 records
Compound notes
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