N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide

C9H10F2N2O4S2 — CID 103098191

IUPACN-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)nc2F)C1
InChIInChI=1S/C9H10F2N2O4S2/c10-8-2-1-7(9(11)12-8)13-19(16,17)6-3-4-18(14,15)5-6/h1-2,6,13H,3-5H2
InChIKeyUFJGEHRFOLEVSP-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.29
Rot. Bonds3

About N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide

N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 103098191) has the molecular formula C9H10F2N2O4S2 and a molecular weight of 312.32 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID103098191
Molecular FormulaC9H10F2N2O4S2
Molecular Weight312.32 g/mol
Exact Mass312.01
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)nc2F)C1
InChIInChI=1S/C9H10F2N2O4S2/c10-8-2-1-7(9(11)12-8)13-19(16,17)6-3-4-18(14,15)5-6/h1-2,6,13H,3-5H2
InChIKeyUFJGEHRFOLEVSP-UHFFFAOYSA-N
XLogP0.29
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-6-methylsulfonylpyridin-3-amine
CID 58414790
6-Fluoro-2-(2-methylsulfonylethyl)pyridin-3-amine
CID 174719884
N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide
CID 103097646
N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 103097651
N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 103097674
N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide
CID 103097780
N-(2,6-difluoro-3-pyridinyl)-2-methyl-2-methylsulfonylpropanamide
CID 103097841
1-cyclopropyl-N-(2,6-difluoro-3-pyridinyl)methanesulfonamide
CID 103098073
N-(2,6-difluoro-3-pyridinyl)propane-1-sulfonamide
CID 103098075
N-(2,6-difluoro-3-pyridinyl)butane-1-sulfonamide
CID 103098076
N-(2,6-difluoro-3-pyridinyl)-1,1-difluoromethanesulfonamide
CID 103098077
2,6-Difluoro-3-(sulfamoylamino)pyridine
CID 103098078

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide (CID 103098191) is N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)nc2F)C1.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is UFJGEHRFOLEVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O4S2/c10-8-2-1-7(9(11)12-8)13-19(16,17)6-3-4-18(14,15)5-6/h1-2,6,13H,3-5H2.
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide?
N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 312.32 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 103098191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).