4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan

C17H15FO3S — CID 175805014

IUPAC4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan
SMILESCC1(c2ccccc2)OCC=C1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FO3S/c1-17(13-5-3-2-4-6-13)16(11-12-21-17)22(19,20)15-9-7-14(18)8-10-15/h2-11H,12H2,1H3
InChIKeySRMJNPQWCUVNHL-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.43
Rot. Bonds3

About 4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan

4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan (PubChem CID 175805014) has the molecular formula C17H15FO3S and a molecular weight of 318.37 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan
PubChem CID175805014
Molecular FormulaC17H15FO3S
Molecular Weight318.37 g/mol
Exact Mass318.07
IUPAC Name4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan
SMILESCC1(c2ccccc2)OCC=C1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H15FO3S/c1-17(13-5-3-2-4-6-13)16(11-12-21-17)22(19,20)15-9-7-14(18)8-10-15/h2-11H,12H2,1H3
InChIKeySRMJNPQWCUVNHL-UHFFFAOYSA-N
XLogP3.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan (CID 175805014) is 4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan is CC1(c2ccccc2)OCC=C1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan?
The InChIKey is SRMJNPQWCUVNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3S/c1-17(13-5-3-2-4-6-13)16(11-12-21-17)22(19,20)15-9-7-14(18)8-10-15/h2-11H,12H2,1H3.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan?
4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan has a molecular weight of 318.37 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-5-methyl-5-phenyl-2H-furan is sourced from PubChem (CID 175805014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).