3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one

C15H8ClFO4S — CID 20864503

IUPAC3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one
SMILESO=c1oc2ccc(F)cc2cc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H8ClFO4S/c16-10-1-4-12(5-2-10)22(19,20)14-8-9-7-11(17)3-6-13(9)21-15(14)18/h1-8H
InChIKeyMYFMGQZLSOEFCD-UHFFFAOYSA-N
MW338.74 g/mol
LogP3.42
Rot. Bonds2

About 3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one

3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one (PubChem CID 20864503) has the molecular formula C15H8ClFO4S and a molecular weight of 338.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one
PubChem CID20864503
Molecular FormulaC15H8ClFO4S
Molecular Weight338.74 g/mol
Exact Mass337.98
IUPAC Name3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one
SMILESO=c1oc2ccc(F)cc2cc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H8ClFO4S/c16-10-1-4-12(5-2-10)22(19,20)14-8-9-7-11(17)3-6-13(9)21-15(14)18/h1-8H
InChIKeyMYFMGQZLSOEFCD-UHFFFAOYSA-N
XLogP3.42
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.74
LogP ≤ 53.42
H-Bond Donors ≤ 50
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 3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one (CID 20864503) is 3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one is O=c1oc2ccc(F)cc2cc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one?
The InChIKey is MYFMGQZLSOEFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFO4S/c16-10-1-4-12(5-2-10)22(19,20)14-8-9-7-11(17)3-6-13(9)21-15(14)18/h1-8H.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one?
3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one has a molecular weight of 338.74 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-6-fluorochromen-2-one is sourced from PubChem (CID 20864503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).