2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one

C19H11FO4S — CID 2135908

IUPAC2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2cc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H11FO4S/c20-13-6-8-14(9-7-13)25(22,23)18-11-16-15-4-2-1-3-12(15)5-10-17(16)24-19(18)21/h1-11H
InChIKeyNXLXSELPBXIJBO-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.92
Rot. Bonds2

About 2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one

2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one (PubChem CID 2135908) has the molecular formula C19H11FO4S and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one
PubChem CID2135908
Molecular FormulaC19H11FO4S
Molecular Weight354.36 g/mol
Exact Mass354.04
IUPAC Name2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one
SMILESO=c1oc2ccc3ccccc3c2cc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H11FO4S/c20-13-6-8-14(9-7-13)25(22,23)18-11-16-15-4-2-1-3-12(15)5-10-17(16)24-19(18)21/h1-11H
InChIKeyNXLXSELPBXIJBO-UHFFFAOYSA-N
XLogP3.92
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one?
The IUPAC name of 2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one (CID 2135908) is 2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one?
The canonical SMILES for 2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one is O=c1oc2ccc3ccccc3c2cc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one?
The InChIKey is NXLXSELPBXIJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FO4S/c20-13-6-8-14(9-7-13)25(22,23)18-11-16-15-4-2-1-3-12(15)5-10-17(16)24-19(18)21/h1-11H.
What are the key properties of 2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one?
2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one has a molecular weight of 354.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonylbenzo[f]chromen-3-one is sourced from PubChem (CID 2135908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).