(NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide

C10H8N2O3S — CID 135057168

IUPAC(NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide
SMILESO=S(=O)(/N=C/c1ccco1)c1ccccn1
InChIInChI=1S/C10H8N2O3S/c13-16(14,10-5-1-2-6-11-10)12-8-9-4-3-7-15-9/h1-8H/b12-8+
InChIKeyAHUHYWQMRPZJHY-XYOKQWHBSA-N
MW236.25 g/mol
LogP1.48
Rot. Bonds3

About (NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide

(NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide (PubChem CID 135057168) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is (NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide.

Molecular Properties

Compound Name(NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide
PubChem CID135057168
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name(NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide
SMILESO=S(=O)(/N=C/c1ccco1)c1ccccn1
InChIInChI=1S/C10H8N2O3S/c13-16(14,10-5-1-2-6-11-10)12-8-9-4-3-7-15-9/h1-8H/b12-8+
InChIKeyAHUHYWQMRPZJHY-XYOKQWHBSA-N
XLogP1.48
TPSA72.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide?
The IUPAC name of (NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide (CID 135057168) is (NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide.
What is the SMILES notation for (NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide?
The canonical SMILES for (NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide is O=S(=O)(/N=C/c1ccco1)c1ccccn1.
What is the InChIKey of (NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide?
The InChIKey is AHUHYWQMRPZJHY-XYOKQWHBSA-N. The full InChI is InChI=1S/C10H8N2O3S/c13-16(14,10-5-1-2-6-11-10)12-8-9-4-3-7-15-9/h1-8H/b12-8+.
What are the key properties of (NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide?
(NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide has a molecular weight of 236.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide is sourced from PubChem (CID 135057168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).