1,2-difluoro-4-(3-methylsulfonylphenyl)benzene

C13H10F2O2S — CID 57118843

IUPAC1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1cccc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H10F2O2S/c1-18(16,17)11-4-2-3-9(7-11)10-5-6-12(14)13(15)8-10/h2-8H,1H3
InChIKeyVYHGWICIPKAQRH-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.04
Rot. Bonds2

About 1,2-difluoro-4-(3-methylsulfonylphenyl)benzene

1,2-difluoro-4-(3-methylsulfonylphenyl)benzene (PubChem CID 57118843) has the molecular formula C13H10F2O2S and a molecular weight of 268.28 g/mol. Its IUPAC name is 1,2-difluoro-4-(3-methylsulfonylphenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
PubChem CID57118843
Molecular FormulaC13H10F2O2S
Molecular Weight268.28 g/mol
Exact Mass268.04
IUPAC Name1,2-difluoro-4-(3-methylsulfonylphenyl)benzene
SMILESCS(=O)(=O)c1cccc(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C13H10F2O2S/c1-18(16,17)11-4-2-3-9(7-11)10-5-6-12(14)13(15)8-10/h2-8H,1H3
InChIKeyVYHGWICIPKAQRH-UHFFFAOYSA-N
XLogP3.04
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-difluoro-4-(3-methylphenyl)-5-(4-methylsulfonylphenyl)benzene
CID 23451201
4-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 170341986
2-bromo-5-(3-methylsulfonylphenyl)phenol
CID 171383332
3,5-difluoro-4-(3-methylsulfonylphenyl)benzamide
CID 172648780
3-fluoro-4-(3-methylsulfonylphenyl)benzoic acid
CID 53228086
3-fluoro-4-(3-methylsulfonylphenyl)benzonitrile
CID 172914670
(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine
CID 171383542
3-(3-methylsulfonylphenyl)pyridine;hydrochloride
CID 53406635
2-fluoro-4-methyl-5-(3-methylsulfonylphenyl)benzoic acid
CID 171905829
2-hydroxy-5-(3-methylsulfonylphenyl)benzonitrile
CID 53220172
2-chloro-1-fluoro-4-(4-methylsulfonylphenyl)benzene
CID 70265699
[4-(3-methylsulfonylphenyl)-2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 166611510

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(3-methylsulfonylphenyl)benzene?
The IUPAC name of 1,2-difluoro-4-(3-methylsulfonylphenyl)benzene (CID 57118843) is 1,2-difluoro-4-(3-methylsulfonylphenyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(3-methylsulfonylphenyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(3-methylsulfonylphenyl)benzene is CS(=O)(=O)c1cccc(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 1,2-difluoro-4-(3-methylsulfonylphenyl)benzene?
The InChIKey is VYHGWICIPKAQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2O2S/c1-18(16,17)11-4-2-3-9(7-11)10-5-6-12(14)13(15)8-10/h2-8H,1H3.
What are the key properties of 1,2-difluoro-4-(3-methylsulfonylphenyl)benzene?
1,2-difluoro-4-(3-methylsulfonylphenyl)benzene has a molecular weight of 268.28 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(3-methylsulfonylphenyl)benzene is sourced from PubChem (CID 57118843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).