1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid

C11H14FN3O4S — CID 107594803

IUPAC1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2ccncc2F)C1
InChIInChI=1S/C11H14FN3O4S/c12-9-6-13-4-3-10(9)14-20(18,19)15-5-1-2-8(7-15)11(16)17/h3-4,6,8H,1-2,5,7H2,(H,13,14)(H,16,17)
InChIKeyCRWMEHMOPKHOTQ-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.67
Rot. Bonds4

About 1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid

1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid (PubChem CID 107594803) has the molecular formula C11H14FN3O4S and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
PubChem CID107594803
Molecular FormulaC11H14FN3O4S
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(S(=O)(=O)Nc2ccncc2F)C1
InChIInChI=1S/C11H14FN3O4S/c12-9-6-13-4-3-10(9)14-20(18,19)15-5-1-2-8(7-15)11(16)17/h3-4,6,8H,1-2,5,7H2,(H,13,14)(H,16,17)
InChIKeyCRWMEHMOPKHOTQ-UHFFFAOYSA-N
XLogP0.67
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859885
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 65482248
1-[(2-chloro-5-fluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 107526936
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859380
1-[(2,5-dimethylphenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858070
1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858588
1-[(2,6-dichlorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60857772
1-(1,3,4-thiadiazol-2-ylsulfamoyl)piperidine-3-carboxylic acid
CID 60859075
2-(aminomethyl)-N-(3-fluoro-4-pyridinyl)piperidine-1-sulfonamide
CID 106090138
1-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]piperidine-3-carboxylic acid
CID 116786481
N-(3-amino-4-pyridinyl)piperidine-1-sulfonamide
CID 63063461
1-(dimethylaminosulfamoyl)piperidine-3-carboxylic acid
CID 83003975

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid (CID 107594803) is 1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(S(=O)(=O)Nc2ccncc2F)C1.
What is the InChIKey of 1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
The InChIKey is CRWMEHMOPKHOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S/c12-9-6-13-4-3-10(9)14-20(18,19)15-5-1-2-8(7-15)11(16)17/h3-4,6,8H,1-2,5,7H2,(H,13,14)(H,16,17).
What are the key properties of 1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid?
1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-4-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 107594803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).