2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine

C15H16FN3O2S — CID 95844720

IUPAC2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C15H16FN3O2S/c16-13-1-3-14(4-2-13)22(20,21)19-9-5-12(6-10-19)15-11-17-7-8-18-15/h1-4,7-8,11-12H,5-6,9-10H2
InChIKeyTZSWBXNSGFRYIU-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.18
Rot. Bonds3

About 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine

2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine (PubChem CID 95844720) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine
PubChem CID95844720
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC Name2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(c2cnccn2)CC1
InChIInChI=1S/C15H16FN3O2S/c16-13-1-3-14(4-2-13)22(20,21)19-9-5-12(6-10-19)15-11-17-7-8-18-15/h1-4,7-8,11-12H,5-6,9-10H2
InChIKeyTZSWBXNSGFRYIU-UHFFFAOYSA-N
XLogP2.18
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylsulfonylpiperidin-4-yl)pyrazine
CID 95821516
N,N-diethyl-4-pyrazin-2-ylpiperidine-1-sulfonamide
CID 125019512
1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888
5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 4644145
2-[(3S)-1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 92570977
4-pyrazin-2-ylpiperidin-1-amine
CID 174931565
(2R)-4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 124978418
4-(3-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246297
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-5-methylsulfonyl-1,3,4-oxadiazole
CID 9189176
1-(4-fluorophenyl)sulfonyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 24687006
3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine
CID 175864648
2-[1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrazine
CID 110259171

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine?
The IUPAC name of 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine (CID 95844720) is 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine?
The canonical SMILES for 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine is O=S(=O)(c1ccc(F)cc1)N1CCC(c2cnccn2)CC1.
What is the InChIKey of 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine?
The InChIKey is TZSWBXNSGFRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-13-1-3-14(4-2-13)22(20,21)19-9-5-12(6-10-19)15-11-17-7-8-18-15/h1-4,7-8,11-12H,5-6,9-10H2.
What are the key properties of 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine?
2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine has a molecular weight of 321.38 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]pyrazine is sourced from PubChem (CID 95844720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).