2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine

C15H15ClFN3O3S — CID 90559144

IUPAC2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C15H15ClFN3O3S/c16-13-9-12(1-2-14(13)17)24(21,22)20-7-3-11(4-8-20)23-15-10-18-5-6-19-15/h1-2,5-6,9-11H,3-4,7-8H2
InChIKeyYOEYWTCFTUKSFB-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.50
Rot. Bonds4

About 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine

2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine (PubChem CID 90559144) has the molecular formula C15H15ClFN3O3S and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine.

Molecular Properties

Compound Name2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
PubChem CID90559144
Molecular FormulaC15H15ClFN3O3S
Molecular Weight371.82 g/mol
Exact Mass371.05
IUPAC Name2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine
SMILESO=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Oc2cnccn2)CC1
InChIInChI=1S/C15H15ClFN3O3S/c16-13-9-12(1-2-14(13)17)24(21,22)20-7-3-11(4-8-20)23-15-10-18-5-6-19-15/h1-2,5-6,9-11H,3-4,7-8H2
InChIKeyYOEYWTCFTUKSFB-UHFFFAOYSA-N
XLogP2.50
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636413
2-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636398
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 71799317
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-(benzenesulfonyl)pyrrolidin-3-yl]oxypyrazine
CID 90636351
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
4-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265671
5-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 100754268
2-[(3R)-1-(3,4-difluorophenyl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129416787
2-[1-(4-propan-2-yloxyphenyl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636426

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine?
The IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine (CID 90559144) is 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine.
What is the SMILES notation for 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine?
The canonical SMILES for 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine is O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC(Oc2cnccn2)CC1.
What is the InChIKey of 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine?
The InChIKey is YOEYWTCFTUKSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3S/c16-13-9-12(1-2-14(13)17)24(21,22)20-7-3-11(4-8-20)23-15-10-18-5-6-19-15/h1-2,5-6,9-11H,3-4,7-8H2.
What are the key properties of 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine?
2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine has a molecular weight of 371.82 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]oxypyrazine is sourced from PubChem (CID 90559144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).