3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one

C16H11FO4S — CID 7246264

IUPAC3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one
SMILESCc1cc(S(=O)(=O)c2cc3ccccc3oc2=O)ccc1F
InChIInChI=1S/C16H11FO4S/c1-10-8-12(6-7-13(10)17)22(19,20)15-9-11-4-2-3-5-14(11)21-16(15)18/h2-9H,1H3
InChIKeyUKQFZNXAGGOCLQ-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.07
Rot. Bonds2

About 3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one

3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one (PubChem CID 7246264) has the molecular formula C16H11FO4S and a molecular weight of 318.32 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one
PubChem CID7246264
Molecular FormulaC16H11FO4S
Molecular Weight318.32 g/mol
Exact Mass318.04
IUPAC Name3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one
SMILESCc1cc(S(=O)(=O)c2cc3ccccc3oc2=O)ccc1F
InChIInChI=1S/C16H11FO4S/c1-10-8-12(6-7-13(10)17)22(19,20)15-9-11-4-2-3-5-14(11)21-16(15)18/h2-9H,1H3
InChIKeyUKQFZNXAGGOCLQ-UHFFFAOYSA-N
XLogP3.07
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.07
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-fluoro-3-methylphenyl)sulfonylchromen-2-one?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one (CID 7246264) is 3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one is Cc1cc(S(=O)(=O)c2cc3ccccc3oc2=O)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one?
The InChIKey is UKQFZNXAGGOCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4S/c1-10-8-12(6-7-13(10)17)22(19,20)15-9-11-4-2-3-5-14(11)21-16(15)18/h2-9H,1H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one?
3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one has a molecular weight of 318.32 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)sulfonylchromen-2-one is sourced from PubChem (CID 7246264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).