2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid

C14H18FNO4S — CID 61010405

IUPAC2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C14H18FNO4S/c1-10-5-6-11(15)8-13(10)21(19,20)16-7-3-2-4-12(16)9-14(17)18/h5-6,8,12H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyURIZSUAZYZYDCL-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.15
Rot. Bonds4

About 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid

2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid (PubChem CID 61010405) has the molecular formula C14H18FNO4S and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid
PubChem CID61010405
Molecular FormulaC14H18FNO4S
Molecular Weight315.37 g/mol
Exact Mass315.09
IUPAC Name2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid
SMILESCc1ccc(F)cc1S(=O)(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C14H18FNO4S/c1-10-5-6-11(15)8-13(10)21(19,20)16-7-3-2-4-12(16)9-14(17)18/h5-6,8,12H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyURIZSUAZYZYDCL-UHFFFAOYSA-N
XLogP2.15
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid (CID 61010405) is 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid is Cc1ccc(F)cc1S(=O)(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid?
The InChIKey is URIZSUAZYZYDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4S/c1-10-5-6-11(15)8-13(10)21(19,20)16-7-3-2-4-12(16)9-14(17)18/h5-6,8,12H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid?
2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid has a molecular weight of 315.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-2-yl]acetic acid is sourced from PubChem (CID 61010405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).