3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide

C14H13FN2O2S — CID 144893369

IUPAC3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide
SMILESC=C(C)c1c(-c2cccc(F)n2)cccc1S(N)(=O)=O
InChIInChI=1S/C14H13FN2O2S/c1-9(2)14-10(11-6-4-8-13(15)17-11)5-3-7-12(14)20(16,18)19/h3-8H,1H2,2H3,(H2,16,18,19)
InChIKeyIPHKMFBPVVPJCR-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.57
Rot. Bonds3

About 3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide

3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide (PubChem CID 144893369) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide
PubChem CID144893369
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide
SMILESC=C(C)c1c(-c2cccc(F)n2)cccc1S(N)(=O)=O
InChIInChI=1S/C14H13FN2O2S/c1-9(2)14-10(11-6-4-8-13(15)17-11)5-3-7-12(14)20(16,18)19/h3-8H,1H2,2H3,(H2,16,18,19)
InChIKeyIPHKMFBPVVPJCR-UHFFFAOYSA-N
XLogP2.57
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6-fluoro-2-pyridinyl)phenol
CID 136595488
methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate
CID 70473258
methyl 2-sulfamoyl-6-(4,5,6-trimethylpyrimidin-2-yl)benzoate
CID 70510631
2-fluoro-6-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine
CID 140732685
2-fluoro-4-[4-(6-methyl-2-pyridinyl)thiophen-3-yl]benzenesulfonamide
CID 139972097
2-sulfamoyl-6-(4-sulfamoylphenyl)benzenecarboximidamide
CID 144893339
2-(2-methylsulfonylphenyl)-6-(trifluoromethyl)pyridine
CID 23218110
methyl 5-chloro-3-(6-fluoro-2-pyridinyl)-1H-pyrazole-4-carboxylate
CID 23055536
2-(3-fluoro-2-propan-2-ylphenyl)-3-sulfamoylbenzenesulfonic acid
CID 150255452
2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide
CID 68779942
2-fluoro-6-(2,3,4-trichlorophenyl)pyridine
CID 133090349
2-fluoro-3-methoxybenzenesulfonamide
CID 82811316

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide?
The IUPAC name of 3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide (CID 144893369) is 3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide?
The canonical SMILES for 3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide is C=C(C)c1c(-c2cccc(F)n2)cccc1S(N)(=O)=O.
What is the InChIKey of 3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide?
The InChIKey is IPHKMFBPVVPJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c1-9(2)14-10(11-6-4-8-13(15)17-11)5-3-7-12(14)20(16,18)19/h3-8H,1H2,2H3,(H2,16,18,19).
What are the key properties of 3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide?
3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide has a molecular weight of 292.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-pyridinyl)-2-prop-1-en-2-ylbenzenesulfonamide is sourced from PubChem (CID 144893369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).