5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine

C14H14FN3O2S — CID 171388469

IUPAC5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(S(=O)(=O)N3CC(F)C3)cc2)cn1
InChIInChI=1S/C14H14FN3O2S/c15-12-8-18(9-12)21(19,20)13-4-1-10(2-5-13)11-3-6-14(16)17-7-11/h1-7,12H,8-9H2,(H2,16,17)
InChIKeyARZYKSZRFZICBQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.67
Rot. Bonds3

About 5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine

5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine (PubChem CID 171388469) has the molecular formula C14H14FN3O2S and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine
PubChem CID171388469
Molecular FormulaC14H14FN3O2S
Molecular Weight307.35 g/mol
Exact Mass307.08
IUPAC Name5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine
SMILESNc1ccc(-c2ccc(S(=O)(=O)N3CC(F)C3)cc2)cn1
InChIInChI=1S/C14H14FN3O2S/c15-12-8-18(9-12)21(19,20)13-4-1-10(2-5-13)11-3-6-14(16)17-7-11/h1-7,12H,8-9H2,(H2,16,17)
InChIKeyARZYKSZRFZICBQ-UHFFFAOYSA-N
XLogP1.67
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine?
The IUPAC name of 5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine (CID 171388469) is 5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine?
The canonical SMILES for 5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine is Nc1ccc(-c2ccc(S(=O)(=O)N3CC(F)C3)cc2)cn1.
What is the InChIKey of 5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine?
The InChIKey is ARZYKSZRFZICBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2S/c15-12-8-18(9-12)21(19,20)13-4-1-10(2-5-13)11-3-6-14(16)17-7-11/h1-7,12H,8-9H2,(H2,16,17).
What are the key properties of 5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine?
5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine has a molecular weight of 307.35 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluoroazetidin-1-yl)sulfonylphenyl]pyridin-2-amine is sourced from PubChem (CID 171388469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).