1-Ethyl-5-(hydroxymethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-sulfonamide
Basic information
- CAS
1494947-65-7- Standard SMILES
CCCN(CC(F)(F)F)S(=O)(=O)c1cc(CO)n(CC)c1- InChIKey
MNYSIRYTWFWRFP-UHFFFAOYSA-N- Molecular formula
- C12H19F3N2O3S
- Average molar mass
- 328.35 g/mol
- Monoisotopic mass
- 328.10684813
Names & identifiers
- Preferred name
- 1-Ethyl-5-(hydroxymethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-sulfonamide
- IUPAC
- 1-ethyl-5-(hydroxymethyl)-N-propyl-N-(2,2,2-trifluoroethyl)pyrrole-3-sulfonamide
Names & synonyms
DTXSID501126218AKOS0150757481-Ethyl-5-(hydroxymethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrrole-3-sulfonamide1H-Pyrrole-3-sulfonamide, 1-ethyl-5-(hydroxymethyl)-N-propyl-N-(2,2,2-trifluoroethyl)-1494947-65-7
Database identifiers
- CAS
1494947-65-7- PubChem CID
- 65735693
- DTXSID
DTXSID501126218
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
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Compound notes
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