cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate

C18H24FNO4S — CID 55335058

IUPACcyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OC1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H24FNO4S/c19-16-10-9-14(18(21)24-15-7-3-1-4-8-15)13-17(16)25(22,23)20-11-5-2-6-12-20/h9-10,13,15H,1-8,11-12H2
InChIKeyPVLVFSRNESKBHI-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.49
Rot. Bonds4

About cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate

cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate (PubChem CID 55335058) has the molecular formula C18H24FNO4S and a molecular weight of 369.46 g/mol. Its IUPAC name is cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate.

Molecular Properties

Compound Namecyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
PubChem CID55335058
Molecular FormulaC18H24FNO4S
Molecular Weight369.46 g/mol
Exact Mass369.14
IUPAC Namecyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
SMILESO=C(OC1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H24FNO4S/c19-16-10-9-14(18(21)24-15-7-3-1-4-8-15)13-17(16)25(22,23)20-11-5-2-6-12-20/h9-10,13,15H,1-8,11-12H2
InChIKeyPVLVFSRNESKBHI-UHFFFAOYSA-N
XLogP3.49
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexyl 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 8764324
(2-oxooxolan-3-yl) 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 24687203
cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate
CID 52651787
cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953
4-fluoro-N'-(4-fluorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 55333909
(2-fluorophenyl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 23849342
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 27010595
(2-ethylpiperidin-1-yl)-(4-fluoro-3-piperidin-1-ylsulfonylphenyl)methanone
CID 51147915
2-(4-methoxyphenoxy)ethyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 16528975
4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-cyclopropyl-4-fluoro-N-(3-methylbutan-2-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 55624988
[2-(2,5-difluoroanilino)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 23877745

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
The IUPAC name of cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate (CID 55335058) is cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate.
What is the SMILES notation for cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
The canonical SMILES for cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate is O=C(OC1CCCCC1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
The InChIKey is PVLVFSRNESKBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO4S/c19-16-10-9-14(18(21)24-15-7-3-1-4-8-15)13-17(16)25(22,23)20-11-5-2-6-12-20/h9-10,13,15H,1-8,11-12H2.
What are the key properties of cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate?
cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate has a molecular weight of 369.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate is sourced from PubChem (CID 55335058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).