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

C10H11FN2O4S — CID 103298824

IUPAC2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C10H11FN2O4S/c11-8-2-1-3-12-10(8)18(16,17)13-5-7(6-13)4-9(14)15/h1-3,7H,4-6H2,(H,14,15)
InChIKeyXJHDMTCXNDDZIN-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.32
Rot. Bonds4

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

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid (PubChem CID 103298824) has the molecular formula C10H11FN2O4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
PubChem CID103298824
Molecular FormulaC10H11FN2O4S
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1CN(S(=O)(=O)c2ncccc2F)C1
InChIInChI=1S/C10H11FN2O4S/c11-8-2-1-3-12-10(8)18(16,17)13-5-7(6-13)4-9(14)15/h1-3,7H,4-6H2,(H,14,15)
InChIKeyXJHDMTCXNDDZIN-UHFFFAOYSA-N
XLogP0.32
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
N-[[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methyl]ethanamine
CID 103308642
(3aR,7aS)-2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-amine
CID 103302388
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]-3-oxopiperazin-2-yl]acetic acid
CID 103298814
[4-[(3-fluoro-2-pyridinyl)sulfonyl]-6-methylmorpholin-2-yl]methanol
CID 103300552
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
CID 103299166
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531
1-ethyl-4-[(3-fluoro-2-pyridinyl)sulfonyl]-2-methylpiperazine
CID 103300086
1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 103299708
2-[4-[(3-fluoro-2-pyridinyl)sulfonyl]piperazin-1-yl]-N-methylacetamide
CID 103299364

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid (CID 103298824) is 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid is O=C(O)CC1CN(S(=O)(=O)c2ncccc2F)C1.
What is the InChIKey of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid?
The InChIKey is XJHDMTCXNDDZIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4S/c11-8-2-1-3-12-10(8)18(16,17)13-5-7(6-13)4-9(14)15/h1-3,7H,4-6H2,(H,14,15).
What are the key properties of 2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid?
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid has a molecular weight of 274.27 g/mol, XLogP of 0.32, 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]azetidin-3-yl]acetic acid is sourced from PubChem (CID 103298824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).