4-[2-(Butane-1-sulfonyl)phenyl]-1H-pyrrole-3-carbonitrile
Basic information
- CAS
87388-37-2- Standard SMILES
CCCCS(=O)(=O)c1ccccc1-c1c[nH]cc1C#N- InChIKey
YQBILMRXKIHUER-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.09324893
Names & identifiers
- Preferred name
- 4-[2-(Butane-1-sulfonyl)phenyl]-1H-pyrrole-3-carbonitrile
- IUPAC
- 4-(2-butylsulfonylphenyl)-1H-pyrrole-3-carbonitrile
Names & synonyms
87388-37-24-(2-(Butylsulfonyl)phenyl)-1H-pyrrole-3-carbonitrileDTXSID708325374-[2-(BUTANE-1-SULFONYL)PHENYL]-1H-PYRROLE-3-CARBONITRILE
Database identifiers
- CAS
87388-37-2- PubChem CID
- 71413005
- DTXSID
DTXSID70832537
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 460
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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