2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C15H17FN2O2S — CID 60639396

IUPAC2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc2n1CCN(S(=O)(=O)c1ccccc1F)C2C
InChIInChI=1S/C15H17FN2O2S/c1-11-7-8-14-12(2)18(10-9-17(11)14)21(19,20)15-6-4-3-5-13(15)16/h3-8,12H,9-10H2,1-2H3
InChIKeyWCQYDTUVQAQJBX-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.70
Rot. Bonds2

About 2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 60639396) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID60639396
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc2n1CCN(S(=O)(=O)c1ccccc1F)C2C
InChIInChI=1S/C15H17FN2O2S/c1-11-7-8-14-12(2)18(10-9-17(11)14)21(19,20)15-6-4-3-5-13(15)16/h3-8,12H,9-10H2,1-2H3
InChIKeyWCQYDTUVQAQJBX-UHFFFAOYSA-N
XLogP2.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 60639396) is 2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is Cc1ccc2n1CCN(S(=O)(=O)c1ccccc1F)C2C.
What is the InChIKey of 2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is WCQYDTUVQAQJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-7-8-14-12(2)18(10-9-17(11)14)21(19,20)15-6-4-3-5-13(15)16/h3-8,12H,9-10H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 308.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)sulfonyl-1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 60639396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).