3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one

C16H11FO5S — CID 20864479

IUPAC3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)c(S(=O)(=O)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C16H11FO5S/c1-21-12-4-7-14-10(8-12)9-15(16(18)22-14)23(19,20)13-5-2-11(17)3-6-13/h2-9H,1H3
InChIKeyCUFDZXPIDCREHN-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.77
Rot. Bonds3

About 3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one

3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one (PubChem CID 20864479) has the molecular formula C16H11FO5S and a molecular weight of 334.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one
PubChem CID20864479
Molecular FormulaC16H11FO5S
Molecular Weight334.32 g/mol
Exact Mass334.03
IUPAC Name3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)c(S(=O)(=O)c3ccc(F)cc3)cc2c1
InChIInChI=1S/C16H11FO5S/c1-21-12-4-7-14-10(8-12)9-15(16(18)22-14)23(19,20)13-5-2-11(17)3-6-13/h2-9H,1H3
InChIKeyCUFDZXPIDCREHN-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'}

Analyze 3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one (CID 20864479) is 3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one is COc1ccc2oc(=O)c(S(=O)(=O)c3ccc(F)cc3)cc2c1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one?
The InChIKey is CUFDZXPIDCREHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO5S/c1-21-12-4-7-14-10(8-12)9-15(16(18)22-14)23(19,20)13-5-2-11(17)3-6-13/h2-9H,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one?
3-(4-fluorophenyl)sulfonyl-6-methoxychromen-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 3-(4-fluorophenyl)sulfonyl-6-methoxychromen-2-one is sourced from PubChem (CID 20864479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).