1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid

C12H14F2N2O4S — CID 60859885

IUPAC1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C12H14F2N2O4S/c13-9-4-1-5-10(14)11(9)15-21(19,20)16-6-2-3-8(7-16)12(17)18/h1,4-5,8,15H,2-3,6-7H2,(H,17,18)
InChIKeyFXPDSWGXPJTFBT-UHFFFAOYSA-N
MW320.32 g/mol
LogP1.42
Rot. Bonds4

About 1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid

1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 60859885) has the molecular formula C12H14F2N2O4S and a molecular weight of 320.32 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID60859885
Molecular FormulaC12H14F2N2O4S
Molecular Weight320.32 g/mol
Exact Mass320.06
IUPAC Name1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2c(F)cccc2F)C1
InChIInChI=1S/C12H14F2N2O4S/c13-9-4-1-5-10(14)11(9)15-21(19,20)16-6-2-3-8(7-16)12(17)18/h1,4-5,8,15H,2-3,6-7H2,(H,17,18)
InChIKeyFXPDSWGXPJTFBT-UHFFFAOYSA-N
XLogP1.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857772
1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107594803
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859380
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 65482248
1-[(2-chloro-5-fluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107526936
(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858070
1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859075
1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 116786481
1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858588
1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61075380
1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 107601918

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid (CID 60859885) is 1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)Nc2c(F)cccc2F)C1.
What is the InChIKey of 1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is FXPDSWGXPJTFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O4S/c13-9-4-1-5-10(14)11(9)15-21(19,20)16-6-2-3-8(7-16)12(17)18/h1,4-5,8,15H,2-3,6-7H2,(H,17,18).
What are the key properties of 1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 320.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 60859885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).