1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene

C19H13F3O2S — CID 10546567

IUPAC1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H13F3O2S/c1-25(23,24)15-8-4-13(5-9-15)17-11-19(22)18(21)10-16(17)12-2-6-14(20)7-3-12/h2-11H,1H3
InChIKeyHNFQHHNIJFTNOS-UHFFFAOYSA-N
MW362.37 g/mol
LogP4.84
Rot. Bonds3

About 1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene

1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene (PubChem CID 10546567) has the molecular formula C19H13F3O2S and a molecular weight of 362.37 g/mol. Its IUPAC name is 1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
PubChem CID10546567
Molecular FormulaC19H13F3O2S
Molecular Weight362.37 g/mol
Exact Mass362.06
IUPAC Name1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H13F3O2S/c1-25(23,24)15-8-4-13(5-9-15)17-11-19(22)18(21)10-16(17)12-2-6-14(20)7-3-12/h2-11H,1H3
InChIKeyHNFQHHNIJFTNOS-UHFFFAOYSA-N
XLogP4.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

SC-57666
CID 443373
2-Naphthyl-p-tolyl sulfone
CID 518736
5-(4-Fluorophenyl)-6-(4-methylsulfonylphenyl)spiro[2.4]hept-5-ene
CID 9851770
1-[2-(4-Methylsulfonylphenyl)-1-cyclopentenyl]-4-trifluoromethylbenzene
CID 9947309
1-(4-Chlorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 10641092
4-[4,5-Difluoro-2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 10666170
4-[2-(4-Fluorophenyl)phenyl]benzenesulfonamide
CID 10782440
1-(3-Chloro-4-fluorophenyl)-4,5-difluoro-2-(4-methylsulfonylphenyl)benzene
CID 10786954
1-Fluoro-4-((4-methylphenyl)sulphonyl)benzene
CID 74237
1-[2-(4-Fluorophenyl)-4,4-dimethyl-1-cyclopentenyl]-4-methylsulfonylbenzene
CID 9841079
1-(4-Fluorophenyl)-2-[4-(methylsulfonyl)phenyl]benzene
CID 9905412
1-Methylsulfanyl-4-[2-(4-methylsulfonylphenyl)-1-cyclopentenyl]benzene
CID 9924251

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene?
The IUPAC name of 1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene (CID 10546567) is 1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene is CS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene?
The InChIKey is HNFQHHNIJFTNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O2S/c1-25(23,24)15-8-4-13(5-9-15)17-11-19(22)18(21)10-16(17)12-2-6-14(20)7-3-12/h2-11H,1H3.
What are the key properties of 1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene?
1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene has a molecular weight of 362.37 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)benzene is sourced from PubChem (CID 10546567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).