(2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate

C16H18FNO6S — CID 24687203

IUPAC(2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OC1CCOC1=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H18FNO6S/c17-12-5-4-11(15(19)24-13-6-9-23-16(13)20)10-14(12)25(21,22)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9H2
InChIKeyGJKPIRFMDJDQLW-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.47
Rot. Bonds4

About (2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate

(2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate (PubChem CID 24687203) has the molecular formula C16H18FNO6S and a molecular weight of 371.39 g/mol. Its IUPAC name is (2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Name(2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
PubChem CID24687203
Molecular FormulaC16H18FNO6S
Molecular Weight371.39 g/mol
Exact Mass371.08
IUPAC Name(2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OC1CCOC1=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H18FNO6S/c17-12-5-4-11(15(19)24-13-6-9-23-16(13)20)10-14(12)25(21,22)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9H2
InChIKeyGJKPIRFMDJDQLW-UHFFFAOYSA-N
XLogP1.47
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-2-oxooxolan-3-yl] 3-(azepan-1-ylsulfonyl)-4-chlorobenzoate
CID 2120682
cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 55335058
[(3S)-2-oxooxolan-3-yl] 4-chlorobenzoate
CID 2380151
3-(2-oxooxolan-3-yl)oxycarbonylbenzenesulfonic acid
CID 90246272
(2-fluorophenyl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 23849342
cyclohexyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 8764324
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 27010595
2-(4-methoxyphenoxy)ethyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 16528975
N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 55624988
[2-(cyclooctylamino)-2-oxoethyl] 4-fluoro-3-morpholin-4-ylsulfonylbenzoate
CID 4009487
[(3S)-2-oxooxolan-3-yl] 4-chloro-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 8645553

Frequently Asked Questions

What is the IUPAC name of (2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of (2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate (CID 24687203) is (2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for (2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for (2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate is O=C(OC1CCOC1=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of (2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is GJKPIRFMDJDQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO6S/c17-12-5-4-11(15(19)24-13-6-9-23-16(13)20)10-14(12)25(21,22)18-7-2-1-3-8-18/h4-5,10,13H,1-3,6-9H2.
What are the key properties of (2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
(2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 371.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 24687203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).