(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone

C18H17F2NO3S — CID 90589559

IUPAC(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17F2NO3S/c19-14-3-1-13(2-4-14)18(22)21-11-9-17(10-12-21)25(23,24)16-7-5-15(20)6-8-16/h1-8,17H,9-12H2
InChIKeyQCDXWMNZMVTQAV-UHFFFAOYSA-N
MW365.40 g/mol
LogP3.04
Rot. Bonds3

About (4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone

(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 90589559) has the molecular formula C18H17F2NO3S and a molecular weight of 365.40 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID90589559
Molecular FormulaC18H17F2NO3S
Molecular Weight365.40 g/mol
Exact Mass365.09
IUPAC Name(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H17F2NO3S/c19-14-3-1-13(2-4-14)18(22)21-11-9-17(10-12-21)25(23,24)16-7-5-15(20)6-8-16/h1-8,17H,9-12H2
InChIKeyQCDXWMNZMVTQAV-UHFFFAOYSA-N
XLogP3.04
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(1H-indol-6-yl)methanone
CID 90589712
(4-cyclopentylsulfonylphenyl)-[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 99805654
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 73168116
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
(2-ethyl-1,3-benzothiazol-6-yl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589684
[4-(benzenesulfonyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 90589122
(4-cyclopentylsulfonylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119561781
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 90589784
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one
CID 90589548
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 71808797
(3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone
CID 134374430

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone (CID 90589559) is (4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is QCDXWMNZMVTQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2NO3S/c19-14-3-1-13(2-4-14)18(22)21-11-9-17(10-12-21)25(23,24)16-7-5-15(20)6-8-16/h1-8,17H,9-12H2.
What are the key properties of (4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 365.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 90589559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).