3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide

C10H13FN2O2S2 — CID 106427299

IUPAC3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide
SMILESC=CCSCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H13FN2O2S2/c1-2-7-16-8-6-13-17(14,15)10-9(11)4-3-5-12-10/h2-5,13H,1,6-8H2
InChIKeyYAROWUNBHFYKCW-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.42
Rot. Bonds7

About 3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide

3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide (PubChem CID 106427299) has the molecular formula C10H13FN2O2S2 and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide
PubChem CID106427299
Molecular FormulaC10H13FN2O2S2
Molecular Weight276.36 g/mol
Exact Mass276.04
IUPAC Name3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide
SMILESC=CCSCCNS(=O)(=O)c1ncccc1F
InChIInChI=1S/C10H13FN2O2S2/c1-2-7-16-8-6-13-17(14,15)10-9(11)4-3-5-12-10/h2-5,13H,1,6-8H2
InChIKeyYAROWUNBHFYKCW-UHFFFAOYSA-N
XLogP1.42
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Ethylsulfonyl)pyridine-2-sulfonamide
CID 164047
3-(Trifluoromethyl)pyridine-2-sulfonamide
CID 13910921
5-Aminopyridine-2-sulfonamide
CID 22313850
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
Pyridine sulfonamide
CID 12000791
Pyridine-3-sulfonamide
CID 232710
4-(Cyanomethylthio)pyridine-3-sulfonamide
CID 46703932
4-(2-Propynylthio)pyridine-3-sulfonamide
CID 46907399
6-(Phenylsulfonyl)pyridine-3-sulfonamide
CID 819426
2-(5-Piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide
CID 7759315
2-Pyridinesulfonylacetonitrile
CID 519355
6-[(2,3,5,6-Tetrafluorophenyl)thio]pyridine-3-sulfonamide
CID 46861806

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide (CID 106427299) is 3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide is C=CCSCCNS(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide?
The InChIKey is YAROWUNBHFYKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2S2/c1-2-7-16-8-6-13-17(14,15)10-9(11)4-3-5-12-10/h2-5,13H,1,6-8H2.
What are the key properties of 3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide?
3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide has a molecular weight of 276.36 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-prop-2-enylsulfanylethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106427299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).