2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine

C15H16FN3O4S — CID 90637612

IUPAC2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
SMILESCOc1cncc(OC2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C15H16FN3O4S/c1-22-14-8-17-9-15(18-14)23-12-6-7-19(10-12)24(20,21)13-4-2-11(16)3-5-13/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyKJGAQBSODDTSQX-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.47
Rot. Bonds5

About 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine

2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine (PubChem CID 90637612) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
PubChem CID90637612
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC Name2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
SMILESCOc1cncc(OC2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C15H16FN3O4S/c1-22-14-8-17-9-15(18-14)23-12-6-7-19(10-12)24(20,21)13-4-2-11(16)3-5-13/h2-5,8-9,12H,6-7,10H2,1H3
InChIKeyKJGAQBSODDTSQX-UHFFFAOYSA-N
XLogP1.47
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-6-[1-[2-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90637692
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 100615718
N-[4-[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]sulfonyl-3-methylphenyl]acetamide
CID 90637690
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
1-[4-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 90639397
3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 90639393
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636426
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine (CID 90637612) is 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine is COc1cncc(OC2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine?
The InChIKey is KJGAQBSODDTSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c1-22-14-8-17-9-15(18-14)23-12-6-7-19(10-12)24(20,21)13-4-2-11(16)3-5-13/h2-5,8-9,12H,6-7,10H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine?
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine has a molecular weight of 353.38 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine is sourced from PubChem (CID 90637612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).