4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid

C15H19F2NO4S — CID 122424258

IUPAC4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C1(F)CCN(C(=O)O)CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H19F2NO4S/c1-14(2,15(17)6-8-18(9-7-15)13(19)20)23(21,22)12-5-3-4-11(16)10-12/h3-5,10H,6-9H2,1-2H3,(H,19,20)
InChIKeyGAVAURAAVJNTIC-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.86
Rot. Bonds3

About 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid

4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid (PubChem CID 122424258) has the molecular formula C15H19F2NO4S and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid
PubChem CID122424258
Molecular FormulaC15H19F2NO4S
Molecular Weight347.38 g/mol
Exact Mass347.10
IUPAC Name4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid
SMILESCC(C)(C1(F)CCN(C(=O)O)CC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H19F2NO4S/c1-14(2,15(17)6-8-18(9-7-15)13(19)20)23(21,22)12-5-3-4-11(16)10-12/h3-5,10H,6-9H2,1-2H3,(H,19,20)
InChIKeyGAVAURAAVJNTIC-UHFFFAOYSA-N
XLogP2.86
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid (CID 122424258) is 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid is CC(C)(C1(F)CCN(C(=O)O)CC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid?
The InChIKey is GAVAURAAVJNTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO4S/c1-14(2,15(17)6-8-18(9-7-15)13(19)20)23(21,22)12-5-3-4-11(16)10-12/h3-5,10H,6-9H2,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid?
4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid has a molecular weight of 347.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 122424258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).