5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid

C10H11F2NO5S — CID 166267311

IUPAC5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)c2ccco2)CC(F)(F)C1
InChIInChI=1S/C10H11F2NO5S/c11-10(12)4-7(9(14)15)5-13(6-10)19(16,17)8-2-1-3-18-8/h1-3,7H,4-6H2,(H,14,15)
InChIKeyVKSHVGYXPGGSEI-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.01
Rot. Bonds3

About 5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid

5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid (PubChem CID 166267311) has the molecular formula C10H11F2NO5S and a molecular weight of 295.26 g/mol. Its IUPAC name is 5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid
PubChem CID166267311
Molecular FormulaC10H11F2NO5S
Molecular Weight295.26 g/mol
Exact Mass295.03
IUPAC Name5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid
SMILESO=C(O)C1CN(S(=O)(=O)c2ccco2)CC(F)(F)C1
InChIInChI=1S/C10H11F2NO5S/c11-10(12)4-7(9(14)15)5-13(6-10)19(16,17)8-2-1-3-18-8/h1-3,7H,4-6H2,(H,14,15)
InChIKeyVKSHVGYXPGGSEI-UHFFFAOYSA-N
XLogP1.01
TPSA87.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid 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

1-(2-ethylpyrazol-3-yl)sulfonyl-5,5-difluoropiperidine-3-carboxylic acid
CID 166267307
1-(furan-2-ylsulfonyl)pyrrolidine
CID 130723774
5,5-difluoro-1-[(3-methoxyphenyl)methylsulfonyl]piperidine-3-carboxylic acid
CID 166267316
1-(furan-2-ylsulfonyl)-3-methylpiperazine
CID 120875176
1-(furan-3-ylsulfonyl)piperidine-3-carboxylic acid
CID 120968848
1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105581
[1-(furan-2-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 120874730
1-(1-benzofuran-7-ylsulfonyl)pyrrolidine-3-carboxylic acid
CID 122068400
1-thiophen-2-ylsulfonylazetidine-3-carboxylic acid
CID 25187118
5,5-difluoro-1-[6-(4-fluorophenyl)pyridine-2-carbonyl]piperidine-3-carboxylic acid
CID 167743691
4-(3,3-difluoropyrrolidin-1-yl)sulfonylbenzoic acid
CID 138453425
(3S,5R)-5-(3-fluorophenyl)-1-(furan-2-ylsulfonyl)pyrrolidin-3-ol
CID 100722173

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid?
The IUPAC name of 5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid (CID 166267311) is 5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid is O=C(O)C1CN(S(=O)(=O)c2ccco2)CC(F)(F)C1.
What is the InChIKey of 5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid?
The InChIKey is VKSHVGYXPGGSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO5S/c11-10(12)4-7(9(14)15)5-13(6-10)19(16,17)8-2-1-3-18-8/h1-3,7H,4-6H2,(H,14,15).
What are the key properties of 5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid?
5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid has a molecular weight of 295.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-1-(furan-2-ylsulfonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 166267311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).