4-(2-fluoroethylsulfonyl)pyridin-3-amine

C7H9FN2O2S — CID 80694965

IUPAC4-(2-fluoroethylsulfonyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)(=O)CCF
InChIInChI=1S/C7H9FN2O2S/c8-2-4-13(11,12)7-1-3-10-5-6(7)9/h1,3,5H,2,4,9H2
InChIKeyBEKSQSQIUCFJDG-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.41
Rot. Bonds3

About 4-(2-fluoroethylsulfonyl)pyridin-3-amine

4-(2-fluoroethylsulfonyl)pyridin-3-amine (PubChem CID 80694965) has the molecular formula C7H9FN2O2S and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(2-fluoroethylsulfonyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2-fluoroethylsulfonyl)pyridin-3-amine
PubChem CID80694965
Molecular FormulaC7H9FN2O2S
Molecular Weight204.23 g/mol
Exact Mass204.04
IUPAC Name4-(2-fluoroethylsulfonyl)pyridin-3-amine
SMILESNc1cnccc1S(=O)(=O)CCF
InChIInChI=1S/C7H9FN2O2S/c8-2-4-13(11,12)7-1-3-10-5-6(7)9/h1,3,5H,2,4,9H2
InChIKeyBEKSQSQIUCFJDG-UHFFFAOYSA-N
XLogP0.41
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-nonylsulfonylpyridin-3-amine
CID 55035695
5-[(3-amino-4-pyridinyl)sulfonyl]pentanenitrile
CID 62113641
4-(2-pyridin-2-ylethylsulfonyl)pyridin-3-amine
CID 62112810
4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]pyridin-3-amine
CID 62111812
4-[(3,5-dimethylphenyl)methylsulfonyl]pyridin-3-amine
CID 62112965
3-[(3-amino-4-pyridinyl)sulfonylmethyl]-4-fluorobenzamide
CID 62113980
4-(1,3-benzothiazol-2-ylmethylsulfonyl)pyridin-3-amine
CID 104631686
2-[(3-amino-4-pyridinyl)sulfonyl]-1-morpholin-4-ylethanone
CID 62113459
4-(2-methylprop-1-enylsulfonyl)pyridin-3-amine
CID 70323652
2-[(3-amino-4-pyridinyl)sulfonyl]-N-cycloheptylacetamide
CID 62575123
2-[(3-amino-4-pyridinyl)sulfonyl]-N-(3-methylbutyl)acetamide
CID 62113298
4-[(2-methyl-3-nitrophenyl)methylsulfonyl]pyridin-3-amine
CID 62112298

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylsulfonyl)pyridin-3-amine?
The IUPAC name of 4-(2-fluoroethylsulfonyl)pyridin-3-amine (CID 80694965) is 4-(2-fluoroethylsulfonyl)pyridin-3-amine.
What is the SMILES notation for 4-(2-fluoroethylsulfonyl)pyridin-3-amine?
The canonical SMILES for 4-(2-fluoroethylsulfonyl)pyridin-3-amine is Nc1cnccc1S(=O)(=O)CCF.
What is the InChIKey of 4-(2-fluoroethylsulfonyl)pyridin-3-amine?
The InChIKey is BEKSQSQIUCFJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2S/c8-2-4-13(11,12)7-1-3-10-5-6(7)9/h1,3,5H,2,4,9H2.
What are the key properties of 4-(2-fluoroethylsulfonyl)pyridin-3-amine?
4-(2-fluoroethylsulfonyl)pyridin-3-amine has a molecular weight of 204.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylsulfonyl)pyridin-3-amine is sourced from PubChem (CID 80694965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).