N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide

C12H16FN3O3S — CID 66211543

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide
SMILESNC1C2CCCOC2C1NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H16FN3O3S/c13-7-4-8(6-15-5-7)20(17,18)16-11-10(14)9-2-1-3-19-12(9)11/h4-6,9-12,16H,1-3,14H2
InChIKeyIBTSMNGMNGEQQH-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.00
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide (PubChem CID 66211543) has the molecular formula C12H16FN3O3S and a molecular weight of 301.34 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide
PubChem CID66211543
Molecular FormulaC12H16FN3O3S
Molecular Weight301.34 g/mol
Exact Mass301.09
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide
SMILESNC1C2CCCOC2C1NS(=O)(=O)c1cncc(F)c1
InChIInChI=1S/C12H16FN3O3S/c13-7-4-8(6-15-5-7)20(17,18)16-11-10(14)9-2-1-3-19-12(9)11/h4-6,9-12,16H,1-3,14H2
InChIKeyIBTSMNGMNGEQQH-UHFFFAOYSA-N
XLogP0.00
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-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-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide (CID 66211543) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide is NC1C2CCCOC2C1NS(=O)(=O)c1cncc(F)c1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide?
The InChIKey is IBTSMNGMNGEQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O3S/c13-7-4-8(6-15-5-7)20(17,18)16-11-10(14)9-2-1-3-19-12(9)11/h4-6,9-12,16H,1-3,14H2.
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide has a molecular weight of 301.34 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-5-fluoropyridine-3-sulfonamide is sourced from PubChem (CID 66211543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).