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

C14H15FN2O2S — CID 4827521

IUPAC2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2cccn2CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-11-14-3-2-8-16(14)9-10-17(11)20(18,19)13-6-4-12(15)5-7-13/h2-8,11H,9-10H2,1H3
InChIKeyAIOBOKVKNIJXOW-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.39
Rot. Bonds2

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

2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 4827521) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID4827521
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC1c2cccn2CCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-11-14-3-2-8-16(14)9-10-17(11)20(18,19)13-6-4-12(15)5-7-13/h2-8,11H,9-10H2,1H3
InChIKeyAIOBOKVKNIJXOW-UHFFFAOYSA-N
XLogP2.39
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 4827521) is 2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CC1c2cccn2CCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is AIOBOKVKNIJXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-11-14-3-2-8-16(14)9-10-17(11)20(18,19)13-6-4-12(15)5-7-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 294.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 4827521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).