[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone

C21H19FN2O3S — CID 90589784

IUPAC[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H19FN2O3S/c22-16-6-8-17(9-7-16)28(26,27)18-11-13-24(14-12-18)21(25)20-10-5-15-3-1-2-4-19(15)23-20/h1-10,18H,11-14H2
InChIKeyDOTCWXLEEQZAPB-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.45
Rot. Bonds3

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

[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 90589784) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
PubChem CID90589784
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H19FN2O3S/c22-16-6-8-17(9-7-16)28(26,27)18-11-13-24(14-12-18)21(25)20-10-5-15-3-1-2-4-19(15)23-20/h1-10,18H,11-14H2
InChIKeyDOTCWXLEEQZAPB-UHFFFAOYSA-N
XLogP3.45
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

quinolin-2-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-1-yl]methanone
CID 53235176
(4-methylsulfonylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 90586527
(4-fluorophenyl)-[4-(quinoline-2-carbonyl)piperazin-1-yl]methanone
CID 38388017
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
N-methyl-N-[1-(quinoline-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 48734257
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 90589712
[4-(chloromethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63398231
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110464452
(3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 134374430
(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110485391
1-(quinoline-2-carbonyl)piperidin-4-one
CID 2556285

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone (CID 90589784) is [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is DOTCWXLEEQZAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c22-16-6-8-17(9-7-16)28(26,27)18-11-13-24(14-12-18)21(25)20-10-5-15-3-1-2-4-19(15)23-20/h1-10,18H,11-14H2.
What are the key properties of [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone?
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 398.46 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 90589784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).