4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine

C14H14FN3O2S — CID 71859094

IUPAC4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCN1CCN(S(=O)(=O)c2cccc(F)c2)c2cnccc21
InChIInChI=1S/C14H14FN3O2S/c1-17-7-8-18(14-10-16-6-5-13(14)17)21(19,20)12-4-2-3-11(15)9-12/h2-6,9-10H,7-8H2,1H3
InChIKeySCEMRLPQWZOGHP-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.87
Rot. Bonds2

About 4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine

4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine (PubChem CID 71859094) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
PubChem CID71859094
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine
SMILESCN1CCN(S(=O)(=O)c2cccc(F)c2)c2cnccc21
InChIInChI=1S/C14H14FN3O2S/c1-17-7-8-18(14-10-16-6-5-13(14)17)21(19,20)12-4-2-3-11(15)9-12/h2-6,9-10H,7-8H2,1H3
InChIKeySCEMRLPQWZOGHP-UHFFFAOYSA-N
XLogP1.87
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[3-[(1-methyl-2,3-dihydropyrido[3,4-b]pyrazin-4-yl)sulfonyl]azetidin-1-yl]-phenylmethanone
CID 127780591
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4-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
The IUPAC name of 4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine (CID 71859094) is 4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
The canonical SMILES for 4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine is CN1CCN(S(=O)(=O)c2cccc(F)c2)c2cnccc21.
What is the InChIKey of 4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
The InChIKey is SCEMRLPQWZOGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c1-17-7-8-18(14-10-16-6-5-13(14)17)21(19,20)12-4-2-3-11(15)9-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine?
4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine has a molecular weight of 307.35 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)sulfonyl-1-methyl-2,3-dihydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 71859094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).