ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

C14H18FNO4S — CID 695498

IUPACethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO4S/c1-2-20-14(17)11-7-9-16(10-8-11)21(18,19)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3
InChIKeyZTJRIPZDFXLFRK-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.79
Rot. Bonds4

About ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 695498) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID695498
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Nameethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO4S/c1-2-20-14(17)11-7-9-16(10-8-11)21(18,19)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3
InChIKeyZTJRIPZDFXLFRK-UHFFFAOYSA-N
XLogP1.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-[(4-methylphenyl)sulfonyl]piperidine-4-carboxylate
CID 818681
ethyl (3R)-1-[4-(diethylsulfamoyl)-3-fluorophenyl]sulfonylpiperidine-3-carboxylate
CID 162365456
1-((4-Methylphenyl)sulfonyl)-4-piperidinecarboxylic acid
CID 737840
Ethyl 1-(phenylsulfonyl)piperidine-4-carboxylate
CID 257103
Methyl 1-(benzylsulfonyl)piperidine-4-carboxylate
CID 646167
Ethyl 1-benzylsulfonylpiperidine-4-carboxylate
CID 772060
Ethyl 1-[2-(benzenesulfonamido)-2-methylpropyl]piperidine-4-carboxylate
CID 2320026
Ethyl 1-[(3,4-dimethylphenyl)sulfonyl]piperidine-4-carboxylate
CID 1090993
Diethyl 1-(phenylsulfonyl)piperidine-4,4-dicarboxylate
CID 257105
Ethyl 1-[(4-ethylphenyl)sulfonyl]-4-piperidinecarboxylate
CID 593546
Ethyl 1-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-4-piperidinecarboxylate
CID 1254423
Ethyl 1-(phenylsulfonyl)piperidine-3-carboxylate
CID 2904534

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate (CID 695498) is ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is ZTJRIPZDFXLFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-2-20-14(17)11-7-9-16(10-8-11)21(18,19)13-5-3-12(15)4-6-13/h3-6,11H,2,7-10H2,1H3.
What are the key properties of ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate?
ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 695498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).