6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one

C16H11FO5S — CID 7246276

IUPAC6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one
SMILESCOc1ccc(S(=O)(=O)c2cc3cc(F)ccc3oc2=O)cc1
InChIInChI=1S/C16H11FO5S/c1-21-12-3-5-13(6-4-12)23(19,20)15-9-10-8-11(17)2-7-14(10)22-16(15)18/h2-9H,1H3
InChIKeyZUFBKPLKIVNMPF-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.77
Rot. Bonds3

About 6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one

6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one (PubChem CID 7246276) has the molecular formula C16H11FO5S and a molecular weight of 334.32 g/mol. Its IUPAC name is 6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one.

Molecular Properties

Compound Name6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one
PubChem CID7246276
Molecular FormulaC16H11FO5S
Molecular Weight334.32 g/mol
Exact Mass334.03
IUPAC Name6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one
SMILESCOc1ccc(S(=O)(=O)c2cc3cc(F)ccc3oc2=O)cc1
InChIInChI=1S/C16H11FO5S/c1-21-12-3-5-13(6-4-12)23(19,20)15-9-10-8-11(17)2-7-14(10)22-16(15)18/h2-9H,1H3
InChIKeyZUFBKPLKIVNMPF-UHFFFAOYSA-N
XLogP2.77
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.77
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 6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one?
The IUPAC name of 6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one (CID 7246276) is 6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one.
What is the SMILES notation for 6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one?
The canonical SMILES for 6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one is COc1ccc(S(=O)(=O)c2cc3cc(F)ccc3oc2=O)cc1.
What is the InChIKey of 6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one?
The InChIKey is ZUFBKPLKIVNMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO5S/c1-21-12-3-5-13(6-4-12)23(19,20)15-9-10-8-11(17)2-7-14(10)22-16(15)18/h2-9H,1H3.
What are the key properties of 6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one?
6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one has a molecular weight of 334.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-methoxyphenyl)sulfonylchromen-2-one is sourced from PubChem (CID 7246276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).