3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine

C8H7BrF2N2O2S — CID 58522069

IUPAC3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cncc(Br)c1)N1CC(F)(F)C1
InChIInChI=1S/C8H7BrF2N2O2S/c9-6-1-7(3-12-2-6)16(14,15)13-4-8(10,11)5-13/h1-3H,4-5H2
InChIKeyMJJDVUDYPXNVLS-UHFFFAOYSA-N
MW313.12 g/mol
LogP1.48
Rot. Bonds2

About 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine

3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine (PubChem CID 58522069) has the molecular formula C8H7BrF2N2O2S and a molecular weight of 313.12 g/mol. Its IUPAC name is 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine.

Molecular Properties

Compound Name3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine
PubChem CID58522069
Molecular FormulaC8H7BrF2N2O2S
Molecular Weight313.12 g/mol
Exact Mass311.94
IUPAC Name3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine
SMILESO=S(=O)(c1cncc(Br)c1)N1CC(F)(F)C1
InChIInChI=1S/C8H7BrF2N2O2S/c9-6-1-7(3-12-2-6)16(14,15)13-4-8(10,11)5-13/h1-3H,4-5H2
InChIKeyMJJDVUDYPXNVLS-UHFFFAOYSA-N
XLogP1.48
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.12
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-bromo-3-pyridinyl)sulfonyl]-2,2-dimethylthiomorpholine
CID 113252456
3-[(5-bromo-3-pyridinyl)sulfonyl]-8-oxa-3-azabicyclo[3.2.1]octane
CID 66370500
1-[(5-bromo-3-pyridinyl)sulfonyl]-4-methylpyrrolidin-3-amine
CID 103576433
2-[1-[(5-bromo-3-pyridinyl)sulfonyl]azetidin-3-yl]acetic acid
CID 64617835
5-bromopyridine-3-sulfonyl chloride;ethane
CID 143729896
3-bromo-5-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylpyridine
CID 64598277
3-bromo-5-(3-piperidin-1-ylpyrrolidin-1-yl)sulfonylpyridine
CID 63175235
[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol
CID 81218928
1-[(5-bromo-3-pyridinyl)sulfonyl]-3-ethylpiperidin-4-amine
CID 81456896
(3S,4R)-1-[(5-bromo-3-pyridinyl)sulfonyl]-4-phenylpyrrolidin-3-amine
CID 120766733
1-[(5-bromo-3-pyridinyl)sulfonyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512380
5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-sulfonamide
CID 113313388

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine?
The IUPAC name of 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine (CID 58522069) is 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine.
What is the SMILES notation for 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine?
The canonical SMILES for 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine is O=S(=O)(c1cncc(Br)c1)N1CC(F)(F)C1.
What is the InChIKey of 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine?
The InChIKey is MJJDVUDYPXNVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2S/c9-6-1-7(3-12-2-6)16(14,15)13-4-8(10,11)5-13/h1-3H,4-5H2.
What are the key properties of 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine?
3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine has a molecular weight of 313.12 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(3,3-difluoroazetidin-1-yl)sulfonylpyridine is sourced from PubChem (CID 58522069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).