1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid

C15H16FN3O4S — CID 56882020

IUPAC1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H16FN3O4S/c16-12-4-1-2-5-13(12)24(22,23)18-10-6-15(7-11-18,14(20)21)19-9-3-8-17-19/h1-5,8-9H,6-7,10-11H2,(H,20,21)
InChIKeyFYZLIHLEUVRYNN-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.29
Rot. Bonds4

About 1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid

1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid (PubChem CID 56882020) has the molecular formula C15H16FN3O4S and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid
PubChem CID56882020
Molecular FormulaC15H16FN3O4S
Molecular Weight353.38 g/mol
Exact Mass353.08
IUPAC Name1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(n2cccn2)CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C15H16FN3O4S/c16-12-4-1-2-5-13(12)24(22,23)18-10-6-15(7-11-18,14(20)21)19-9-3-8-17-19/h1-5,8-9H,6-7,10-11H2,(H,20,21)
InChIKeyFYZLIHLEUVRYNN-UHFFFAOYSA-N
XLogP1.29
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid (CID 56882020) is 1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid is O=C(O)C1(n2cccn2)CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
The InChIKey is FYZLIHLEUVRYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4S/c16-12-4-1-2-5-13(12)24(22,23)18-10-6-15(7-11-18,14(20)21)19-9-3-8-17-19/h1-5,8-9H,6-7,10-11H2,(H,20,21).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid?
1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 56882020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).