6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide

C11H13ClN2O3S — CID 80601602

IUPAC6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CC2CCC1O2)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O3S/c12-11-4-2-8(6-13-11)18(15,16)14-9-5-7-1-3-10(9)17-7/h2,4,6-7,9-10,14H,1,3,5H2
InChIKeyMTGFCADZYDSKBI-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.33
Rot. Bonds3

About 6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide

6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide (PubChem CID 80601602) has the molecular formula C11H13ClN2O3S and a molecular weight of 288.76 g/mol. Its IUPAC name is 6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide
PubChem CID80601602
Molecular FormulaC11H13ClN2O3S
Molecular Weight288.76 g/mol
Exact Mass288.03
IUPAC Name6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CC2CCC1O2)c1ccc(Cl)nc1
InChIInChI=1S/C11H13ClN2O3S/c12-11-4-2-8(6-13-11)18(15,16)14-9-5-7-1-3-10(9)17-7/h2,4,6-7,9-10,14H,1,3,5H2
InChIKeyMTGFCADZYDSKBI-UHFFFAOYSA-N
XLogP1.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide (CID 80601602) is 6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide is O=S(=O)(NC1CC2CCC1O2)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide?
The InChIKey is MTGFCADZYDSKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O3S/c12-11-4-2-8(6-13-11)18(15,16)14-9-5-7-1-3-10(9)17-7/h2,4,6-7,9-10,14H,1,3,5H2.
What are the key properties of 6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide?
6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide has a molecular weight of 288.76 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 80601602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).