Basic information
- Standard SMILES
Cc1c(-c2ccccc2)oc2c(S(=O)(=O)NCCO)cccc2c1=O- InChIKey
MHDWZQKAZVCWOS-UHFFFAOYSA-N- Molecular formula
- C18H17NO5S
- Average molar mass
- 359.4 g/mol
- Monoisotopic mass
- 359.08274382
Names & identifiers
- Preferred name
- 8-(2-hydroxyethylsulfamyl)-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran
- IUPAC
- N-(2-hydroxyethyl)-3-methyl-4-oxo-2-phenylchromene-8-sulfonamide
Names & synonyms
SCHEMBL8875599MHDWZQKAZVCWOS-UHFFFAOYSA-N8-(2-hydroxyethylsulfamyl)-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran
Database identifiers
- PubChem CID
- 19972778
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 630
Related reactions
4 records
Compound notes
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