Basic information
- Standard SMILES
CCc1cc(-c2ccc(S(=O)(=O)Cl)s2)c(C)[nH]c1=O- InChIKey
QVUMLFKXPVWPEF-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO3S2
- Average molar mass
- 317.8 g/mol
Names & identifiers
- Preferred name
- 5-(5-Ethyl-2-methyl-6-oxo-1,6-dihydropyridin-3-yl)thiophene-2-sulfonyl chloride
- IUPAC
- 5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)thiophene-2-sulfonyl chloride
Names & synonyms
SCHEMBL2674430QVUMLFKXPVWPEF-UHFFFAOYSA-N5-(5-Ethyl-2-methyl-6-oxo-1,6-dihydropyridin-3-yl)thiophene-2-sulfonyl chloride
Database identifiers
- PubChem CID
- 86610352
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 560
Related reactions
134 records
Compound notes
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