Basic information
- Standard SMILES
COC(=O)c1c(C(F)(F)F)ccn1S(=O)(=O)c1ccccc1- InChIKey
HULYGMDWLKFUOC-UHFFFAOYSA-N- Molecular formula
- C13H10F3NO4S
- Average molar mass
- 333.28 g/mol
- Monoisotopic mass
- 333.02826346
Names & identifiers
- Preferred name
- methyl 1-(phenylsulfonyl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylate
- IUPAC
- methyl 1-(benzenesulfonyl)-3-(trifluoromethyl)pyrrole-2-carboxylate
Names & synonyms
methyl 1-(phenylsulfonyl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylateSCHEMBL13505850methyl 1-(benzenesulfonyl)-3-(trifluoromethyl)-1H-pyrrole-2-carboxylate
Database identifiers
- PubChem CID
- 70922372
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 508
Related reactions
5 records
Compound notes
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