2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine

C14H13F2N3O3S — CID 90636413

IUPAC2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C14H13F2N3O3S/c15-12-2-1-11(7-13(12)16)23(20,21)19-6-3-10(9-19)22-14-8-17-4-5-18-14/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyVARNEFAWPSEFAY-UHFFFAOYSA-N
MW341.34 g/mol
LogP1.60
Rot. Bonds4

About 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine

2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (PubChem CID 90636413) has the molecular formula C14H13F2N3O3S and a molecular weight of 341.34 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
PubChem CID90636413
Molecular FormulaC14H13F2N3O3S
Molecular Weight341.34 g/mol
Exact Mass341.06
IUPAC Name2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
SMILESO=S(=O)(c1ccc(F)c(F)c1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C14H13F2N3O3S/c15-12-2-1-11(7-13(12)16)23(20,21)19-6-3-10(9-19)22-14-8-17-4-5-18-14/h1-2,4-5,7-8,10H,3,6,9H2
InChIKeyVARNEFAWPSEFAY-UHFFFAOYSA-N
XLogP1.60
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129416787
2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 90559144
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
2-[1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636355
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
5-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100754268
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636426
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
2-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636391
2-[1-(2,5-dimethoxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636364
2-[(3S)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyrazin-2-yl-1,3,4-oxadiazole
CID 92568226
3-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyridazine
CID 90639393

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The IUPAC name of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine (CID 90636413) is 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is O=S(=O)(c1ccc(F)c(F)c1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
The InChIKey is VARNEFAWPSEFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3O3S/c15-12-2-1-11(7-13(12)16)23(20,21)19-6-3-10(9-19)22-14-8-17-4-5-18-14/h1-2,4-5,7-8,10H,3,6,9H2.
What are the key properties of 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine?
2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine has a molecular weight of 341.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine is sourced from PubChem (CID 90636413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).