2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid

C12H15FN2O4S — CID 103298867

IUPAC2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C12H15FN2O4S/c13-10-2-1-5-14-12(10)20(18,19)15-6-3-9(4-7-15)8-11(16)17/h1-2,5,9H,3-4,6-8H2,(H,16,17)
InChIKeyQZZNCIXHOHIIGN-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.10
Rot. Bonds4

About 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid (PubChem CID 103298867) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
PubChem CID103298867
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(S(=O)(=O)c2ncccc2F)CC1
InChIInChI=1S/C12H15FN2O4S/c13-10-2-1-5-14-12(10)20(18,19)15-6-3-9(4-7-15)8-11(16)17/h1-2,5,9H,3-4,6-8H2,(H,16,17)
InChIKeyQZZNCIXHOHIIGN-UHFFFAOYSA-N
XLogP1.10
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 103298824
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 103299708
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid
CID 103298814
N-ethyl-1-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]ethanamine
CID 103298412
N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 103308642
2-(3-tert-butylpyrrolidin-1-yl)sulfonyl-3-fluoropyridine
CID 103300413
1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 103299923
3-ethyl-1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-amine
CID 103298431

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid (CID 103298867) is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(S(=O)(=O)c2ncccc2F)CC1.
What is the InChIKey of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid?
The InChIKey is QZZNCIXHOHIIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c13-10-2-1-5-14-12(10)20(18,19)15-6-3-9(4-7-15)8-11(16)17/h1-2,5,9H,3-4,6-8H2,(H,16,17).
What are the key properties of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid?
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid has a molecular weight of 302.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 103298867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).