Basic information
- Standard SMILES
O=C(C=Cc1ccn(S(=O)(=O)c2ccc(Br)s2)c1)NOC1CCCCO1- InChIKey
OBFMWUOBUQFINZ-UHFFFAOYSA-N- Molecular formula
- C16H17BrN2O5S2
- Average molar mass
- 461.4 g/mol
Names & identifiers
- Preferred name
- 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrol-3-yl]-N-(oxan-2-yloxy)prop-2-enamide
- IUPAC
- 3-[1-(5-bromothiophen-2-yl)sulfonylpyrrol-3-yl]-N-(oxan-2-yloxy)prop-2-enamide
Names & synonyms
SCHEMBL3146254
Database identifiers
- PubChem CID
- 86621702
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 625
Related reactions
1 records
Compound notes
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