2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine

C19H15FN2O2S — CID 68878850

IUPAC2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H15FN2O2S/c20-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)25(23,24)19-18(21)2-1-13-22-19/h1-13H,21H2
InChIKeyJJWGHAWUVSUYOA-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.81
Rot. Bonds4

About 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine

2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine (PubChem CID 68878850) has the molecular formula C19H15FN2O2S and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine
PubChem CID68878850
Molecular FormulaC19H15FN2O2S
Molecular Weight354.41 g/mol
Exact Mass354.08
IUPAC Name2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine
SMILESNc1cccnc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1
InChIInChI=1S/C19H15FN2O2S/c20-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)25(23,24)19-18(21)2-1-13-22-19/h1-13H,21H2
InChIKeyJJWGHAWUVSUYOA-UHFFFAOYSA-N
XLogP3.81
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carboxamide
CID 68879948
2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile
CID 68880762
2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonyl chloride
CID 173123393
2-chloropyridine-3-carbonitrile;2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridine-3-carbonitrile
CID 162148560
2-[2-[4-[(E)-2-(2-fluorophenyl)ethenyl]phenyl]sulfonyl-3-pyridinyl]propan-2-ol
CID 68877945
3-amino-N-(5-fluoro-2-pyridinyl)pyridine-2-sulfonamide
CID 103306339
2,3-bis(benzenesulfonyl)pyridine
CID 140663815
3-amino-N-(2-chloro-4-fluorophenyl)pyridine-2-sulfonamide
CID 103304304
3-amino-N-(2-chloro-5-fluorophenyl)pyridine-2-sulfonamide
CID 107531133
3-amino-N-(2,6-difluorophenyl)pyridine-2-sulfonamide
CID 103304250
5-[(E)-2-(4-fluorophenyl)ethenyl]benzene-1,3-diamine
CID 45271766
2-amino-5-(4-fluorophenyl)sulfonylphenol
CID 168654683

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine (CID 68878850) is 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine is Nc1cccnc1S(=O)(=O)c1ccc(C=Cc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine?
The InChIKey is JJWGHAWUVSUYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S/c20-16-9-5-14(6-10-16)3-4-15-7-11-17(12-8-15)25(23,24)19-18(21)2-1-13-22-19/h1-13H,21H2.
What are the key properties of 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine?
2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine has a molecular weight of 354.41 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylpyridin-3-amine is sourced from PubChem (CID 68878850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).