7-methoxy-4-oxochromene-8-sulfonamide

C10H9NO5S — CID 13499586

IUPAC7-methoxy-4-oxochromene-8-sulfonamide
SMILESCOc1ccc2c(=O)ccoc2c1S(N)(=O)=O
InChIInChI=1S/C10H9NO5S/c1-15-8-3-2-6-7(12)4-5-16-9(6)10(8)17(11,13)14/h2-5H,1H3,(H2,11,13,14)
InChIKeyDVQQKLIWGOHVFT-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.45
Rot. Bonds2

About 7-methoxy-4-oxochromene-8-sulfonamide

7-methoxy-4-oxochromene-8-sulfonamide (PubChem CID 13499586) has the molecular formula C10H9NO5S and a molecular weight of 255.25 g/mol. Its IUPAC name is 7-methoxy-4-oxochromene-8-sulfonamide.

Molecular Properties

Compound Name7-methoxy-4-oxochromene-8-sulfonamide
PubChem CID13499586
Molecular FormulaC10H9NO5S
Molecular Weight255.25 g/mol
Exact Mass255.02
IUPAC Name7-methoxy-4-oxochromene-8-sulfonamide
SMILESCOc1ccc2c(=O)ccoc2c1S(N)(=O)=O
InChIInChI=1S/C10H9NO5S/c1-15-8-3-2-6-7(12)4-5-16-9(6)10(8)17(11,13)14/h2-5H,1H3,(H2,11,13,14)
InChIKeyDVQQKLIWGOHVFT-UHFFFAOYSA-N
XLogP0.45
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-oxochromene-8-sulfonamide?
The IUPAC name of 7-methoxy-4-oxochromene-8-sulfonamide (CID 13499586) is 7-methoxy-4-oxochromene-8-sulfonamide.
What is the SMILES notation for 7-methoxy-4-oxochromene-8-sulfonamide?
The canonical SMILES for 7-methoxy-4-oxochromene-8-sulfonamide is COc1ccc2c(=O)ccoc2c1S(N)(=O)=O.
What is the InChIKey of 7-methoxy-4-oxochromene-8-sulfonamide?
The InChIKey is DVQQKLIWGOHVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5S/c1-15-8-3-2-6-7(12)4-5-16-9(6)10(8)17(11,13)14/h2-5H,1H3,(H2,11,13,14).
What are the key properties of 7-methoxy-4-oxochromene-8-sulfonamide?
7-methoxy-4-oxochromene-8-sulfonamide has a molecular weight of 255.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-oxochromene-8-sulfonamide is sourced from PubChem (CID 13499586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).