4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one

C17H10Cl2F2O4S — CID 18754519

IUPAC4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
SMILESCS(=O)(=O)c1cc(F)c(C2=C(c3cc(Cl)cc(Cl)c3)C(=O)OC2)cc1F
InChIInChI=1S/C17H10Cl2F2O4S/c1-26(23,24)15-6-13(20)11(5-14(15)21)12-7-25-17(22)16(12)8-2-9(18)4-10(19)3-8/h2-6H,7H2,1H3
InChIKeyJVVBNWGMQCQZEV-UHFFFAOYSA-N
MW419.23 g/mol
LogP4.14
Rot. Bonds3

About 4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one

4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one (PubChem CID 18754519) has the molecular formula C17H10Cl2F2O4S and a molecular weight of 419.23 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
PubChem CID18754519
Molecular FormulaC17H10Cl2F2O4S
Molecular Weight419.23 g/mol
Exact Mass417.96
IUPAC Name4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
SMILESCS(=O)(=O)c1cc(F)c(C2=C(c3cc(Cl)cc(Cl)c3)C(=O)OC2)cc1F
InChIInChI=1S/C17H10Cl2F2O4S/c1-26(23,24)15-6-13(20)11(5-14(15)21)12-7-25-17(22)16(12)8-2-9(18)4-10(19)3-8/h2-6H,7H2,1H3
InChIKeyJVVBNWGMQCQZEV-UHFFFAOYSA-N
XLogP4.14
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-difluoro-4-methylsulfonylphenyl)-4-[4-(trifluoromethyl)phenyl]-2H-furan-5-one
CID 18754620
4-[4-(4-chlorophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745672
4-[4-(4-chloro-3-methoxyphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22746994
2,5-difluoro-4-[5-oxo-4-[4-(trifluoromethyl)phenyl]-2H-furan-3-yl]benzenesulfonamide
CID 22745488
4-[4-(4-cyanophenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22746089
4-[4-(3-cyano-4-methylphenyl)-5-oxo-2H-furan-3-yl]-2,5-difluorobenzenesulfonamide
CID 22745839
2,5-difluoro-4-[4-[3-methyl-4-(trifluoromethoxy)phenyl]-5-oxo-2H-furan-3-yl]benzenesulfonamide
CID 22745443
4-(4-chlorophenyl)-3-(4-methylsulfonylphenyl)-2H-furan-5-one
CID 22148956
3-(3-chloro-4-methylsulfonylphenyl)-4-(4-methylphenyl)-2H-furan-5-one
CID 10292154
4-(4-chloro-3-methylphenyl)-3-(3,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one
CID 18754596
3-(3,4-dichlorophenyl)-4-(2,5-difluoro-4-methylsulfonylphenyl)-5-methyl-1,2-oxazole
CID 22745398
3-(2-fluorophenyl)-4-(4-methylphenyl)-2H-furan-5-one
CID 118721953

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The IUPAC name of 4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one (CID 18754519) is 4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The canonical SMILES for 4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one is CS(=O)(=O)c1cc(F)c(C2=C(c3cc(Cl)cc(Cl)c3)C(=O)OC2)cc1F.
What is the InChIKey of 4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
The InChIKey is JVVBNWGMQCQZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2F2O4S/c1-26(23,24)15-6-13(20)11(5-14(15)21)12-7-25-17(22)16(12)8-2-9(18)4-10(19)3-8/h2-6H,7H2,1H3.
What are the key properties of 4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one?
4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one has a molecular weight of 419.23 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-3-(2,5-difluoro-4-methylsulfonylphenyl)-2H-furan-5-one is sourced from PubChem (CID 18754519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).