(3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone

C16H21FN2O5S — CID 134374430

IUPAC(3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(O)C(O)C1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O5S/c17-11-1-3-12(4-2-11)25(23,24)13-5-7-18(9-13)16(22)19-8-6-14(20)15(21)10-19/h1-4,13-15,20-21H,5-10H2
InChIKeyJLQIOXYUSXJWAF-UHFFFAOYSA-N
MW372.42 g/mol
LogP0.22
Rot. Bonds2

About (3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone

(3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone (PubChem CID 134374430) has the molecular formula C16H21FN2O5S and a molecular weight of 372.42 g/mol. Its IUPAC name is (3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone
PubChem CID134374430
Molecular FormulaC16H21FN2O5S
Molecular Weight372.42 g/mol
Exact Mass372.12
IUPAC Name(3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone
SMILESO=C(N1CCC(O)C(O)C1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O5S/c17-11-1-3-12(4-2-11)25(23,24)13-5-7-18(9-13)16(22)19-8-6-14(20)15(21)10-19/h1-4,13-15,20-21H,5-10H2
InChIKeyJLQIOXYUSXJWAF-UHFFFAOYSA-N
XLogP0.22
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]propan-1-one
CID 57396619
2-ethyl-1-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]butan-1-one
CID 145184231
tert-butyl 3-(4-fluorophenyl)sulfonylpyrrolidine-1-carboxylate
CID 72660054
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
(3S)-3-(benzenesulfonyl)-N-(4-fluorophenyl)pyrrolidine-1-carboxamide
CID 97354940
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
2-cyclohexyl-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90593100
[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]-(1-methyl-1-nitrosothian-4-yl)methanone
CID 134374160
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 90589784
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2,4-difluorophenyl)methanone
CID 90584821
1-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]pentan-1-one
CID 90589548

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone?
The IUPAC name of (3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone (CID 134374430) is (3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone is O=C(N1CCC(O)C(O)C1)N1CCC(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone?
The InChIKey is JLQIOXYUSXJWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O5S/c17-11-1-3-12(4-2-11)25(23,24)13-5-7-18(9-13)16(22)19-8-6-14(20)15(21)10-19/h1-4,13-15,20-21H,5-10H2.
What are the key properties of (3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone?
(3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone has a molecular weight of 372.42 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypiperidin-1-yl)-[3-(4-fluorophenyl)sulfonylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 134374430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).