1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane

C12H17FN2O2S — CID 103299166

IUPAC1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
SMILESO=S(=O)(c1ncccc1F)N1CCCCCCC1
InChIInChI=1S/C12H17FN2O2S/c13-11-7-6-8-14-12(11)18(16,17)15-9-4-2-1-3-5-10-15/h6-8H,1-5,9-10H2
InChIKeyKHHRHVAMSDYFNE-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.18
Rot. Bonds2

About 1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane

1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane (PubChem CID 103299166) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane.

Molecular Properties

Compound Name1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
PubChem CID103299166
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC Name1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane
SMILESO=S(=O)(c1ncccc1F)N1CCCCCCC1
InChIInChI=1S/C12H17FN2O2S/c13-11-7-6-8-14-12(11)18(16,17)15-9-4-2-1-3-5-10-15/h6-8H,1-5,9-10H2
InChIKeyKHHRHVAMSDYFNE-UHFFFAOYSA-N
XLogP2.18
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(3-fluoro-2-pyridinyl)sulfonyl]-1,4-diazepan-1-yl]ethanone
CID 103299923
2-[(3-fluoro-2-pyridinyl)sulfonyl]-1,3,4,5-tetrahydro-2-benzazepine
CID 103300054
3-methylsulfanyl-2-piperidin-1-ylsulfonylpyridine
CID 146169220
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 103299442
1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidine-3-sulfonamide
CID 103302923
3-fluoro-2-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyridine
CID 103299373
1-[(3-fluoro-2-pyridinyl)sulfonyl]-4-(2-methoxyethyl)-1,4-diazepane
CID 103299683
[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 103299267
1-[(3-fluoro-2-pyridinyl)sulfonyl]-N,N-dimethylpiperidine-4-carboxamide
CID 103299708
3-fluoro-2-(3-methylpyrrolidin-1-yl)sulfonylpyridine
CID 103299830
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]acetic acid
CID 103298867
2-[1-[(3-fluoro-2-pyridinyl)sulfonyl]piperidin-4-yl]-N-methylethanamine
CID 103302531

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane?
The IUPAC name of 1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane (CID 103299166) is 1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane.
What is the SMILES notation for 1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane?
The canonical SMILES for 1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane is O=S(=O)(c1ncccc1F)N1CCCCCCC1.
What is the InChIKey of 1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane?
The InChIKey is KHHRHVAMSDYFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c13-11-7-6-8-14-12(11)18(16,17)15-9-4-2-1-3-5-10-15/h6-8H,1-5,9-10H2.
What are the key properties of 1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane?
1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane has a molecular weight of 272.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-pyridinyl)sulfonyl]azocane is sourced from PubChem (CID 103299166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).