Basic information
- CAS
180905-88-8- Standard SMILES
O=C(NC1CC1)c1cccn1S(=O)(=O)c1ccccc1F- InChIKey
PPAQVZQZRLFVBI-UHFFFAOYSA-N- Molecular formula
- C14H13FN2O3S
- Average molar mass
- 308.33 g/mol
- Monoisotopic mass
- 308.06309162
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carboxamide, N-cyclopropyl-1-((2-fluorophenyl)sulfonyl)-
- IUPAC
- N-cyclopropyl-1-(2-fluorophenyl)sulfonylpyrrole-2-carboxamide
Names & synonyms
180905-88-81H-Pyrrole-2-carboxamide, N-cyclopropyl-1-((2-fluorophenyl)sulfonyl)-1-((2-Fluorophenyl)sulfonyl)-1H-pyrrole-2-(N-(cyclopropyl)carboxamide)1-[(2-Fluorophenyl)sulfonyl]-1H-pyrrole-2-[N-(cyclopropyl)carboxamide]1H-Pyrrole-2-carboxamide, N-cyclopropyl-1-[(2-fluorophenyl)sulfonyl]-CHEMBL347304DTXSID50171032N-cyclopropyl-1-(2-fluorophenyl)sulfonyl-pyrrole-2-carboxamideN-Cyclopropyl-1-(2-fluorobenzene-1-sulfonyl)-1H-pyrrole-2-carboxamide
Database identifiers
- CAS
180905-88-8- PubChem CID
- 464705
- DTXSID
DTXSID50171032- ChEMBL
CHEMBL347304
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 76.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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