1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid

C12H14FNO4S — CID 16775048

IUPAC1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C12H14FNO4S/c13-10-2-1-3-11(8-10)19(17,18)14-6-4-9(5-7-14)12(15)16/h1-3,8-9H,4-7H2,(H,15,16)
InChIKeyLAOTUBKOHMWJFD-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.31
Rot. Bonds3

About 1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid

1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid (PubChem CID 16775048) has the molecular formula C12H14FNO4S and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
PubChem CID16775048
Molecular FormulaC12H14FNO4S
Molecular Weight287.31 g/mol
Exact Mass287.06
IUPAC Name1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C12H14FNO4S/c13-10-2-1-3-11(8-10)19(17,18)14-6-4-9(5-7-14)12(15)16/h1-3,8-9H,4-7H2,(H,15,16)
InChIKeyLAOTUBKOHMWJFD-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(3-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 40639359
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-(3-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030624
[1-(4-fluorobenzoyl)piperidin-4-yl]-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24981880
1-(3-chloro-2-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 43361281
N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
CID 91903795
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
[1-(benzenesulfonyl)piperidin-4-yl]-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19291254
1-(3-fluorophenyl)sulfonyl-3-methylpiperidin-4-amine;hydrochloride
CID 119984029
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetic acid
CID 53211439

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid (CID 16775048) is 1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid is O=C(O)C1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid?
The InChIKey is LAOTUBKOHMWJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO4S/c13-10-2-1-3-11(8-10)19(17,18)14-6-4-9(5-7-14)12(15)16/h1-3,8-9H,4-7H2,(H,15,16).
What are the key properties of 1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid?
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid is sourced from PubChem (CID 16775048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).