2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C19H17FN2O2S — CID 18580447

IUPAC2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C19H17FN2O2S/c20-16-8-4-9-17(14-16)25(23,24)22-13-12-21-11-5-10-18(21)19(22)15-6-2-1-3-7-15/h1-11,14,19H,12-13H2
InChIKeyRQMGDLWWBYLIDT-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.42
Rot. Bonds3

About 2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 18580447) has the molecular formula C19H17FN2O2S and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID18580447
Molecular FormulaC19H17FN2O2S
Molecular Weight356.42 g/mol
Exact Mass356.10
IUPAC Name2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESO=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1
InChIInChI=1S/C19H17FN2O2S/c20-16-8-4-9-17(14-16)25(23,24)22-13-12-21-11-5-10-18(21)19(22)15-6-2-1-3-7-15/h1-11,14,19H,12-13H2
InChIKeyRQMGDLWWBYLIDT-UHFFFAOYSA-N
XLogP3.42
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 18580447) is 2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is O=S(=O)(c1cccc(F)c1)N1CCn2cccc2C1c1ccccc1.
What is the InChIKey of 2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is RQMGDLWWBYLIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S/c20-16-8-4-9-17(14-16)25(23,24)22-13-12-21-11-5-10-18(21)19(22)15-6-2-1-3-7-15/h1-11,14,19H,12-13H2.
What are the key properties of 2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 356.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfonyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 18580447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).