N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide

C12H9FN2O4S — CID 103299159

IUPACN-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ncccc1F
InChIInChI=1S/C12H9FN2O4S/c13-9-2-1-5-14-12(9)20(16,17)15-8-3-4-10-11(6-8)19-7-18-10/h1-6,15H,7H2
InChIKeyKYRYWIZZOOKXGC-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.75
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide

N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide (PubChem CID 103299159) has the molecular formula C12H9FN2O4S and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide
PubChem CID103299159
Molecular FormulaC12H9FN2O4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCO2)c1ncccc1F
InChIInChI=1S/C12H9FN2O4S/c13-9-2-1-5-14-12(9)20(16,17)15-8-3-4-10-11(6-8)19-7-18-10/h1-6,15H,7H2
InChIKeyKYRYWIZZOOKXGC-UHFFFAOYSA-N
XLogP1.75
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide (CID 103299159) is N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCO2)c1ncccc1F.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is KYRYWIZZOOKXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4S/c13-9-2-1-5-14-12(9)20(16,17)15-8-3-4-10-11(6-8)19-7-18-10/h1-6,15H,7H2.
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide?
N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 296.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 103299159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).