8-fluoro-2-oxochromene-3-sulfonamide

C9H6FNO4S — CID 164617666

IUPAC8-fluoro-2-oxochromene-3-sulfonamide
SMILESNS(=O)(=O)c1cc2cccc(F)c2oc1=O
InChIInChI=1S/C9H6FNO4S/c10-6-3-1-2-5-4-7(16(11,13)14)9(12)15-8(5)6/h1-4H,(H2,11,13,14)
InChIKeyJZQNKNFGWYUVLM-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.58
Rot. Bonds1

About 8-fluoro-2-oxochromene-3-sulfonamide

8-fluoro-2-oxochromene-3-sulfonamide (PubChem CID 164617666) has the molecular formula C9H6FNO4S and a molecular weight of 243.21 g/mol. Its IUPAC name is 8-fluoro-2-oxochromene-3-sulfonamide.

Molecular Properties

Compound Name8-fluoro-2-oxochromene-3-sulfonamide
PubChem CID164617666
Molecular FormulaC9H6FNO4S
Molecular Weight243.21 g/mol
Exact Mass243.00
IUPAC Name8-fluoro-2-oxochromene-3-sulfonamide
SMILESNS(=O)(=O)c1cc2cccc(F)c2oc1=O
InChIInChI=1S/C9H6FNO4S/c10-6-3-1-2-5-4-7(16(11,13)14)9(12)15-8(5)6/h1-4H,(H2,11,13,14)
InChIKeyJZQNKNFGWYUVLM-UHFFFAOYSA-N
XLogP0.58
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-fluoro-2-oxochromene-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 8-fluoro-2-oxochromene-3-sulfonamide?
The IUPAC name of 8-fluoro-2-oxochromene-3-sulfonamide (CID 164617666) is 8-fluoro-2-oxochromene-3-sulfonamide.
What is the SMILES notation for 8-fluoro-2-oxochromene-3-sulfonamide?
The canonical SMILES for 8-fluoro-2-oxochromene-3-sulfonamide is NS(=O)(=O)c1cc2cccc(F)c2oc1=O.
What is the InChIKey of 8-fluoro-2-oxochromene-3-sulfonamide?
The InChIKey is JZQNKNFGWYUVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO4S/c10-6-3-1-2-5-4-7(16(11,13)14)9(12)15-8(5)6/h1-4H,(H2,11,13,14).
What are the key properties of 8-fluoro-2-oxochromene-3-sulfonamide?
8-fluoro-2-oxochromene-3-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-oxochromene-3-sulfonamide is sourced from PubChem (CID 164617666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).