6-methyl-2-oxochromene-3-sulfonamide

C10H9NO4S — CID 141216239

IUPAC6-methyl-2-oxochromene-3-sulfonamide
SMILESCc1ccc2oc(=O)c(S(N)(=O)=O)cc2c1
InChIInChI=1S/C10H9NO4S/c1-6-2-3-8-7(4-6)5-9(10(12)15-8)16(11,13)14/h2-5H,1H3,(H2,11,13,14)
InChIKeySWOIVLZSYSDKKC-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.75
Rot. Bonds1

About 6-methyl-2-oxochromene-3-sulfonamide

6-methyl-2-oxochromene-3-sulfonamide (PubChem CID 141216239) has the molecular formula C10H9NO4S and a molecular weight of 239.25 g/mol. Its IUPAC name is 6-methyl-2-oxochromene-3-sulfonamide.

Molecular Properties

Compound Name6-methyl-2-oxochromene-3-sulfonamide
PubChem CID141216239
Molecular FormulaC10H9NO4S
Molecular Weight239.25 g/mol
Exact Mass239.03
IUPAC Name6-methyl-2-oxochromene-3-sulfonamide
SMILESCc1ccc2oc(=O)c(S(N)(=O)=O)cc2c1
InChIInChI=1S/C10H9NO4S/c1-6-2-3-8-7(4-6)5-9(10(12)15-8)16(11,13)14/h2-5H,1H3,(H2,11,13,14)
InChIKeySWOIVLZSYSDKKC-UHFFFAOYSA-N
XLogP0.75
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.75
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 6-methyl-2-oxochromene-3-sulfonamide?
The IUPAC name of 6-methyl-2-oxochromene-3-sulfonamide (CID 141216239) is 6-methyl-2-oxochromene-3-sulfonamide.
What is the SMILES notation for 6-methyl-2-oxochromene-3-sulfonamide?
The canonical SMILES for 6-methyl-2-oxochromene-3-sulfonamide is Cc1ccc2oc(=O)c(S(N)(=O)=O)cc2c1.
What is the InChIKey of 6-methyl-2-oxochromene-3-sulfonamide?
The InChIKey is SWOIVLZSYSDKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S/c1-6-2-3-8-7(4-6)5-9(10(12)15-8)16(11,13)14/h2-5H,1H3,(H2,11,13,14).
What are the key properties of 6-methyl-2-oxochromene-3-sulfonamide?
6-methyl-2-oxochromene-3-sulfonamide has a molecular weight of 239.25 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxochromene-3-sulfonamide is sourced from PubChem (CID 141216239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).