8-ethoxy-2-oxochromene-3-sulfonamide

C11H11NO5S — CID 164628509

IUPAC8-ethoxy-2-oxochromene-3-sulfonamide
SMILESCCOc1cccc2cc(S(N)(=O)=O)c(=O)oc12
InChIInChI=1S/C11H11NO5S/c1-2-16-8-5-3-4-7-6-9(18(12,14)15)11(13)17-10(7)8/h3-6H,2H2,1H3,(H2,12,14,15)
InChIKeyLXRSALAUTHMGJG-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.84
Rot. Bonds3

About 8-ethoxy-2-oxochromene-3-sulfonamide

8-ethoxy-2-oxochromene-3-sulfonamide (PubChem CID 164628509) has the molecular formula C11H11NO5S and a molecular weight of 269.28 g/mol. Its IUPAC name is 8-ethoxy-2-oxochromene-3-sulfonamide.

Molecular Properties

Compound Name8-ethoxy-2-oxochromene-3-sulfonamide
PubChem CID164628509
Molecular FormulaC11H11NO5S
Molecular Weight269.28 g/mol
Exact Mass269.04
IUPAC Name8-ethoxy-2-oxochromene-3-sulfonamide
SMILESCCOc1cccc2cc(S(N)(=O)=O)c(=O)oc12
InChIInChI=1S/C11H11NO5S/c1-2-16-8-5-3-4-7-6-9(18(12,14)15)11(13)17-10(7)8/h3-6H,2H2,1H3,(H2,12,14,15)
InChIKeyLXRSALAUTHMGJG-UHFFFAOYSA-N
XLogP0.84
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dichlorophenyl)sulfonyl-8-ethoxychromen-2-one
CID 20864483
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
3-acetyl-8-ethoxychromen-2-one
CID 3266617
3-azido-8-ethoxychromen-2-one
CID 86019033
3-(2-amino-1,3-thiazol-4-yl)-8-ethoxychromen-2-one
CID 5207452
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
8-ethoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 4523886
3-(1,3-benzothiazol-2-yl)-8-ethoxychromen-2-one
CID 934492
3-[3-(4-amino-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5-yl]-8-ethoxychromen-2-one
CID 20904324
8-ethoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 16645433
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
ethyl 2-oxo-8-prop-2-enoxychromene-3-carboxylate
CID 11587162

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-oxochromene-3-sulfonamide?
The IUPAC name of 8-ethoxy-2-oxochromene-3-sulfonamide (CID 164628509) is 8-ethoxy-2-oxochromene-3-sulfonamide.
What is the SMILES notation for 8-ethoxy-2-oxochromene-3-sulfonamide?
The canonical SMILES for 8-ethoxy-2-oxochromene-3-sulfonamide is CCOc1cccc2cc(S(N)(=O)=O)c(=O)oc12.
What is the InChIKey of 8-ethoxy-2-oxochromene-3-sulfonamide?
The InChIKey is LXRSALAUTHMGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5S/c1-2-16-8-5-3-4-7-6-9(18(12,14)15)11(13)17-10(7)8/h3-6H,2H2,1H3,(H2,12,14,15).
What are the key properties of 8-ethoxy-2-oxochromene-3-sulfonamide?
8-ethoxy-2-oxochromene-3-sulfonamide has a molecular weight of 269.28 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-oxochromene-3-sulfonamide is sourced from PubChem (CID 164628509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).