2-oxochromene-3-sulfonamide

C9H7NO4S — CID 87164598

IUPAC2-oxochromene-3-sulfonamide
SMILESNS(=O)(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C9H7NO4S/c10-15(12,13)8-5-6-3-1-2-4-7(6)14-9(8)11/h1-5H,(H2,10,12,13)
InChIKeyIVMWMNABDZPQSN-UHFFFAOYSA-N
MW225.23 g/mol
LogP0.44
Rot. Bonds1

About 2-oxochromene-3-sulfonamide

2-oxochromene-3-sulfonamide (PubChem CID 87164598) has the molecular formula C9H7NO4S and a molecular weight of 225.23 g/mol. Its IUPAC name is 2-oxochromene-3-sulfonamide.

Molecular Properties

Compound Name2-oxochromene-3-sulfonamide
PubChem CID87164598
Molecular FormulaC9H7NO4S
Molecular Weight225.23 g/mol
Exact Mass225.01
IUPAC Name2-oxochromene-3-sulfonamide
SMILESNS(=O)(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C9H7NO4S/c10-15(12,13)8-5-6-3-1-2-4-7(6)14-9(8)11/h1-5H,(H2,10,12,13)
InChIKeyIVMWMNABDZPQSN-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxochromene-3-sulfonamide?
The IUPAC name of 2-oxochromene-3-sulfonamide (CID 87164598) is 2-oxochromene-3-sulfonamide.
What is the SMILES notation for 2-oxochromene-3-sulfonamide?
The canonical SMILES for 2-oxochromene-3-sulfonamide is NS(=O)(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxochromene-3-sulfonamide?
The InChIKey is IVMWMNABDZPQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4S/c10-15(12,13)8-5-6-3-1-2-4-7(6)14-9(8)11/h1-5H,(H2,10,12,13).
What are the key properties of 2-oxochromene-3-sulfonamide?
2-oxochromene-3-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 2-oxochromene-3-sulfonamide is sourced from PubChem (CID 87164598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).