ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate

C14H17F2NO4S — CID 78797808

IUPACethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H17F2NO4S/c1-2-21-14(18)10-5-7-17(8-6-10)22(19,20)13-9-11(15)3-4-12(13)16/h3-4,9-10H,2,5-8H2,1H3
InChIKeyOVHOZCLVCHRCGD-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.93
Rot. Bonds4

About ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate

ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 78797808) has the molecular formula C14H17F2NO4S and a molecular weight of 333.36 g/mol. Its IUPAC name is ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID78797808
Molecular FormulaC14H17F2NO4S
Molecular Weight333.36 g/mol
Exact Mass333.08
IUPAC Nameethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C14H17F2NO4S/c1-2-21-14(18)10-5-7-17(8-6-10)22(19,20)13-9-11(15)3-4-12(13)16/h3-4,9-10H,2,5-8H2,1H3
InChIKeyOVHOZCLVCHRCGD-UHFFFAOYSA-N
XLogP1.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-(5-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 110759367
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55460078
(3-methyl-1,2-oxazol-5-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 33075196
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55460150
2-(3-methylphenoxy)ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55394636
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 27793157
(6-methoxynaphthalen-2-yl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55554776
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 55394560
ethyl 1-(2,4,5-trimethylphenyl)sulfonylpiperidine-4-carboxylate
CID 39116367
(6-chloro-3-pyridinyl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 34160582
N-(3-aminobutyl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
CID 119499390
(4-pyrazol-1-ylphenyl)methyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate
CID 33075168

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate (CID 78797808) is ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate is CCOC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is OVHOZCLVCHRCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO4S/c1-2-21-14(18)10-5-7-17(8-6-10)22(19,20)13-9-11(15)3-4-12(13)16/h3-4,9-10H,2,5-8H2,1H3.
What are the key properties of ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate?
ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 333.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 78797808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).