1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid

C13H15F2NO4S — CID 122105581

IUPAC1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C13H15F2NO4S/c1-8-5-9(13(17)18)7-16(6-8)21(19,20)12-10(14)3-2-4-11(12)15/h2-4,8-9H,5-7H2,1H3,(H,17,18)
InChIKeyONZIZTQVKZQEFV-UHFFFAOYSA-N
MW319.33 g/mol
LogP1.70
Rot. Bonds3

About 1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid

1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid (PubChem CID 122105581) has the molecular formula C13H15F2NO4S and a molecular weight of 319.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
PubChem CID122105581
Molecular FormulaC13H15F2NO4S
Molecular Weight319.33 g/mol
Exact Mass319.07
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(S(=O)(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C13H15F2NO4S/c1-8-5-9(13(17)18)7-16(6-8)21(19,20)12-10(14)3-2-4-11(12)15/h2-4,8-9H,5-7H2,1H3,(H,17,18)
InChIKeyONZIZTQVKZQEFV-UHFFFAOYSA-N
XLogP1.70
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-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-(4-cyano-2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105867
1-(4-fluoro-2,6-dimethylphenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106094
1-[(4-fluoro-1H-indol-3-yl)sulfonyl]-5-methylpiperidine-3-carboxylic acid
CID 122105977
5-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 122105614
1-(2-fluoro-4-methylphenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105615
1-(2-bromo-5-fluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105860
1-(2,5-dichlorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105488
1-(3-fluoro-4-methoxycarbonylphenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106041
[1-(2,6-difluorophenyl)sulfonylazetidin-3-yl]-(4-fluorophenyl)methanone
CID 166334946
1-(3,4-dimethylphenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105508
1-(3-bromo-2-cyanophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122106120
1-[3-(methoxymethyl)phenyl]sulfonyl-5-methylpiperidine-3-carboxylic acid
CID 122105911

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid (CID 122105581) is 1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(S(=O)(=O)c2c(F)cccc2F)C1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid?
The InChIKey is ONZIZTQVKZQEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4S/c1-8-5-9(13(17)18)7-16(6-8)21(19,20)12-10(14)3-2-4-11(12)15/h2-4,8-9H,5-7H2,1H3,(H,17,18).
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid?
1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid has a molecular weight of 319.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122105581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).