2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine

C16H16F3N3O5S — CID 90637692

IUPAC2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1cncc(OC2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)n1
InChIInChI=1S/C16H16F3N3O5S/c1-25-14-8-20-9-15(21-14)26-11-6-7-22(10-11)28(23,24)13-5-3-2-4-12(13)27-16(17,18)19/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyOFHYMEJLUREWCS-UHFFFAOYSA-N
MW419.38 g/mol
LogP2.23
Rot. Bonds6

About 2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine

2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90637692) has the molecular formula C16H16F3N3O5S and a molecular weight of 419.38 g/mol. Its IUPAC name is 2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90637692
Molecular FormulaC16H16F3N3O5S
Molecular Weight419.38 g/mol
Exact Mass419.08
IUPAC Name2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESCOc1cncc(OC2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)n1
InChIInChI=1S/C16H16F3N3O5S/c1-25-14-8-20-9-15(21-14)26-11-6-7-22(10-11)28(23,24)13-5-3-2-4-12(13)27-16(17,18)19/h2-5,8-9,11H,6-7,10H2,1H3
InChIKeyOFHYMEJLUREWCS-UHFFFAOYSA-N
XLogP2.23
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.38
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
CID 90637612
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636391
4,6-dimethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122258213
N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90637690
(3S)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 125118541
5-ethyl-2-[1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122268466
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638530
(3R)-1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962804
2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 100615718
(3R)-N-methyl-1-[2-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-amine
CID 124627734
2-(2-fluorophenoxy)-1-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 90637391
7-phenyl-4-[2-(trifluoromethoxy)phenyl]sulfonyl-1,4-thiazepane
CID 73169058

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90637692) is 2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine is COc1cncc(OC2CCN(S(=O)(=O)c3ccccc3OC(F)(F)F)C2)n1.
What is the InChIKey of 2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is OFHYMEJLUREWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O5S/c1-25-14-8-20-9-15(21-14)26-11-6-7-22(10-11)28(23,24)13-5-3-2-4-12(13)27-16(17,18)19/h2-5,8-9,11H,6-7,10H2,1H3.
What are the key properties of 2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine?
2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 419.38 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 90637692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).