1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid

C11H14FN3O4S — CID 65482449

IUPAC1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)Nc2ccc(F)cn2)CC1
InChIInChI=1S/C11H14FN3O4S/c12-9-1-2-10(13-7-9)14-20(18,19)15-5-3-8(4-6-15)11(16)17/h1-2,7-8H,3-6H2,(H,13,14)(H,16,17)
InChIKeyLHAAOWWEWAPXOE-UHFFFAOYSA-N
MW303.31 g/mol
LogP0.67
Rot. Bonds4

About 1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid

1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid (PubChem CID 65482449) has the molecular formula C11H14FN3O4S and a molecular weight of 303.31 g/mol. Its IUPAC name is 1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid
PubChem CID65482449
Molecular FormulaC11H14FN3O4S
Molecular Weight303.31 g/mol
Exact Mass303.07
IUPAC Name1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)Nc2ccc(F)cn2)CC1
InChIInChI=1S/C11H14FN3O4S/c12-9-1-2-10(13-7-9)14-20(18,19)15-5-3-8(4-6-15)11(16)17/h1-2,7-8H,3-6H2,(H,13,14)(H,16,17)
InChIKeyLHAAOWWEWAPXOE-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-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 65482248
1-[(5-bromo-2-pyridinyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60858588
1-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 104617476
1-[(2,3-difluorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 61075380
1-[(4-chlorophenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60858072
1-(5-fluoropyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 113435785
1-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 79090563
N-(5-amino-2-pyridinyl)-4-methylpiperidine-1-sulfonamide
CID 43144684
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
N-(5-bromo-2-pyridinyl)piperidine-1-sulfonamide
CID 3320967
methyl 1-[(5-chloropyrazin-2-yl)sulfamoyl]piperidine-4-carboxylate
CID 107596042
1-[(2,3-dimethylphenyl)sulfamoyl]piperidine-4-carboxylic acid
CID 60859379

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid (CID 65482449) is 1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)Nc2ccc(F)cn2)CC1.
What is the InChIKey of 1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid?
The InChIKey is LHAAOWWEWAPXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4S/c12-9-1-2-10(13-7-9)14-20(18,19)15-5-3-8(4-6-15)11(16)17/h1-2,7-8H,3-6H2,(H,13,14)(H,16,17).
What are the key properties of 1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid?
1-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-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-[(5-fluoro-2-pyridinyl)sulfamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 65482449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).