6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide

C10H9ClN2O3S — CID 822465

IUPAC6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(Cl)nc1
InChIInChI=1S/C10H9ClN2O3S/c11-10-4-3-9(7-12-10)17(14,15)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2
InChIKeyDDCCIGORNPGVJG-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.81
Rot. Bonds4

About 6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide

6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide (PubChem CID 822465) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
PubChem CID822465
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(Cl)nc1
InChIInChI=1S/C10H9ClN2O3S/c11-10-4-3-9(7-12-10)17(14,15)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2
InChIKeyDDCCIGORNPGVJG-UHFFFAOYSA-N
XLogP1.81
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.81
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-(furan-2-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide (CID 822465) is 6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide is O=S(=O)(NCc1ccco1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is DDCCIGORNPGVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c11-10-4-3-9(7-12-10)17(14,15)13-6-8-2-1-5-16-8/h1-5,7,13H,6H2.
What are the key properties of 6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide?
6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 272.71 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(furan-2-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 822465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).