1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid

C12H14FNO4S — CID 3149457

IUPAC1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO4S/c13-9-4-6-10(7-5-9)19(17,18)14-8-2-1-3-11(14)12(15)16/h4-7,11H,1-3,8H2,(H,15,16)
InChIKeyOEWGZEWXAWCRCL-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.45
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid

1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid (PubChem CID 3149457) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
PubChem CID3149457
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO4S/c13-9-4-6-10(7-5-9)19(17,18)14-8-2-1-3-11(14)12(15)16/h4-7,11H,1-3,8H2,(H,15,16)
InChIKeyOEWGZEWXAWCRCL-UHFFFAOYSA-N
XLogP1.45
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Methyl(phenylsulfonyl)amino)hexanoic acid
CID 117892
1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 615038
1-((4-Methylphenyl)sulfonyl)piperidine-2-carboxylic acid
CID 2928142
(2S)-1-(Benzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 720844
1-(Phenylsulfonyl)proline
CID 2837293
3-[(4-Fluorophenyl)sulfonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 3306150
N-cyclohexyl-N-[(4-fluorophenyl)sulfonyl]glycine
CID 1534374
1-(Benzenesulfonyl)piperidine-2-carboxylic acid
CID 2769957
Ethyl 1-(phenylsulfonyl)piperidine-2-carboxylate
CID 10732772
1-[(4-Fluorophenyl)sulfonyl]-4-piperidinecarboxylic acid
CID 737844
(2S)-1-(2-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 2384346
N-[(4-fluorophenyl)sulfonyl]norleucine
CID 2909921

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid (CID 3149457) is 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid is O=C(O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid?
The InChIKey is OEWGZEWXAWCRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c13-9-4-6-10(7-5-9)19(17,18)14-8-2-1-3-11(14)12(15)16/h4-7,11H,1-3,8H2,(H,15,16).
What are the key properties of 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid?
1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 3149457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).