8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one

C17H13FO5S — CID 7246255

IUPAC8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one
SMILESCCOc1cccc2cc(S(=O)(=O)c3ccccc3F)c(=O)oc12
InChIInChI=1S/C17H13FO5S/c1-2-22-13-8-5-6-11-10-15(17(19)23-16(11)13)24(20,21)14-9-4-3-7-12(14)18/h3-10H,2H2,1H3
InChIKeyAVNNKBUMCUGDHG-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.16
Rot. Bonds4

About 8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one

8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one (PubChem CID 7246255) has the molecular formula C17H13FO5S and a molecular weight of 348.35 g/mol. Its IUPAC name is 8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one.

Molecular Properties

Compound Name8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one
PubChem CID7246255
Molecular FormulaC17H13FO5S
Molecular Weight348.35 g/mol
Exact Mass348.05
IUPAC Name8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one
SMILESCCOc1cccc2cc(S(=O)(=O)c3ccccc3F)c(=O)oc12
InChIInChI=1S/C17H13FO5S/c1-2-22-13-8-5-6-11-10-15(17(19)23-16(11)13)24(20,21)14-9-4-3-7-12(14)18/h3-10H,2H2,1H3
InChIKeyAVNNKBUMCUGDHG-UHFFFAOYSA-N
XLogP3.16
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one?
The IUPAC name of 8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one (CID 7246255) is 8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one.
What is the SMILES notation for 8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one?
The canonical SMILES for 8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one is CCOc1cccc2cc(S(=O)(=O)c3ccccc3F)c(=O)oc12.
What is the InChIKey of 8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one?
The InChIKey is AVNNKBUMCUGDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FO5S/c1-2-22-13-8-5-6-11-10-15(17(19)23-16(11)13)24(20,21)14-9-4-3-7-12(14)18/h3-10H,2H2,1H3.
What are the key properties of 8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one?
8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one has a molecular weight of 348.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-3-(2-fluorophenyl)sulfonylchromen-2-one is sourced from PubChem (CID 7246255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).