2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid

C14H19FN2O4S — CID 119921741

IUPAC2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O4S/c1-10(14(18)19)17-7-3-5-12(9-17)16-22(20,21)13-6-2-4-11(15)8-13/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,18,19)
InChIKeyJYGXOBPBFYGIER-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.04
Rot. Bonds5

About 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid

2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid (PubChem CID 119921741) has the molecular formula C14H19FN2O4S and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid
PubChem CID119921741
Molecular FormulaC14H19FN2O4S
Molecular Weight330.38 g/mol
Exact Mass330.10
IUPAC Name2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1
InChIInChI=1S/C14H19FN2O4S/c1-10(14(18)19)17-7-3-5-12(9-17)16-22(20,21)13-6-2-4-11(15)8-13/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,18,19)
InChIKeyJYGXOBPBFYGIER-UHFFFAOYSA-N
XLogP1.04
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 136550427
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 95304010
3-fluoro-N-[1-(2-methyl-3-phenylsulfanylpropanoyl)piperidin-3-yl]benzenesulfonamide
CID 86935365
N-[1-(1-hydroxyethyl)piperidin-3-yl]-3-propan-2-ylbenzenesulfonamide
CID 166824772
3-fluoro-N-(1-hexa-2,4-dienoylpiperidin-3-yl)benzenesulfonamide
CID 72687865
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
3-fluoro-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzenesulfonamide
CID 133269920
3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide
CID 138997785
3-fluoro-N-[1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidin-3-yl]benzenesulfonamide
CID 120931129
N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119774617
N-[1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 72687849

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid?
The IUPAC name of 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid (CID 119921741) is 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid?
The canonical SMILES for 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid is CC(C(=O)O)N1CCCC(NS(=O)(=O)c2cccc(F)c2)C1.
What is the InChIKey of 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid?
The InChIKey is JYGXOBPBFYGIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O4S/c1-10(14(18)19)17-7-3-5-12(9-17)16-22(20,21)13-6-2-4-11(15)8-13/h2,4,6,8,10,12,16H,3,5,7,9H2,1H3,(H,18,19).
What are the key properties of 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid?
2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid has a molecular weight of 330.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid is sourced from PubChem (CID 119921741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).