4-oxochromene-6-sulfonamide

C9H7NO4S — CID 15074154

IUPAC4-oxochromene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2occc(=O)c2c1
InChIInChI=1S/C9H7NO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-5H,(H2,10,12,13)
InChIKeyIAIOKHHQJIFVNZ-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.44
Rot. Bonds1

About 4-oxochromene-6-sulfonamide

4-oxochromene-6-sulfonamide (PubChem CID 15074154) has the molecular formula C9H7NO4S and a molecular weight of 225.23 g/mol. Its IUPAC name is 4-oxochromene-6-sulfonamide.

Molecular Properties

Compound Name4-oxochromene-6-sulfonamide
PubChem CID15074154
Molecular FormulaC9H7NO4S
Molecular Weight225.23 g/mol
Exact Mass225.01
IUPAC Name4-oxochromene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2occc(=O)c2c1
InChIInChI=1S/C9H7NO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-5H,(H2,10,12,13)
InChIKeyIAIOKHHQJIFVNZ-UHFFFAOYSA-N
XLogP0.44
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-oxochromene-6-sulfonamide?
The IUPAC name of 4-oxochromene-6-sulfonamide (CID 15074154) is 4-oxochromene-6-sulfonamide.
What is the SMILES notation for 4-oxochromene-6-sulfonamide?
The canonical SMILES for 4-oxochromene-6-sulfonamide is NS(=O)(=O)c1ccc2occc(=O)c2c1.
What is the InChIKey of 4-oxochromene-6-sulfonamide?
The InChIKey is IAIOKHHQJIFVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4S/c10-15(12,13)6-1-2-9-7(5-6)8(11)3-4-14-9/h1-5H,(H2,10,12,13).
What are the key properties of 4-oxochromene-6-sulfonamide?
4-oxochromene-6-sulfonamide has a molecular weight of 225.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxochromene-6-sulfonamide is sourced from PubChem (CID 15074154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).