1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene

C13H9BrF2O3S — CID 118022172

IUPAC1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
SMILESCS(=O)(=O)c1ccc(Oc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C13H9BrF2O3S/c1-20(17,18)9-3-5-12(10(14)7-9)19-13-4-2-8(15)6-11(13)16/h2-7H,1H3
InChIKeyAYENRQLLABGZNF-UHFFFAOYSA-N
MW363.18 g/mol
LogP3.92
Rot. Bonds3

About 1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene

1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene (PubChem CID 118022172) has the molecular formula C13H9BrF2O3S and a molecular weight of 363.18 g/mol. Its IUPAC name is 1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
PubChem CID118022172
Molecular FormulaC13H9BrF2O3S
Molecular Weight363.18 g/mol
Exact Mass361.94
IUPAC Name1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
SMILESCS(=O)(=O)c1ccc(Oc2ccc(F)cc2F)c(Br)c1
InChIInChI=1S/C13H9BrF2O3S/c1-20(17,18)9-3-5-12(10(14)7-9)19-13-4-2-8(15)6-11(13)16/h2-7H,1H3
InChIKeyAYENRQLLABGZNF-UHFFFAOYSA-N
XLogP3.92
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.18
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-bromo-4-(2,4-difluorophenoxy)phenyl]sulfonimidoyl]cyclopropane-1-carbonitrile
CID 135226908
2-bromo-1-(2,4-difluorophenoxy)-4-[(1S)-1-ethylsulfonylethyl]benzene
CID 124677431
1-(2-bromo-4-chlorophenoxy)-2,4-bis(methylsulfonyl)benzene
CID 60519600
4-(2-bromo-4-methylsulfonylphenoxy)-3-methoxybenzaldehyde
CID 87380843
1-(2-bromo-4-propylphenoxy)-2,4-difluorobenzene
CID 159889013
3-bromo-4-(2,4-difluorophenoxy)benzonitrile
CID 82798545
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
3-fluoro-4-(4-methylsulfonylphenoxy)aniline
CID 43806836
1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 173140942
4-[2,4-bis(methylsulfonyl)phenoxy]-2-bromo-1-fluorobenzene
CID 133435000
4-(2-bromo-4-fluorophenoxy)-3-fluorobenzamide
CID 43232827
5-[4-(2,4-difluorophenoxy)-3-(4-methylsulfonylphenyl)phenyl]-2H-tetrazole
CID 139699329

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene?
The IUPAC name of 1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene (CID 118022172) is 1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene.
What is the SMILES notation for 1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene?
The canonical SMILES for 1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene is CS(=O)(=O)c1ccc(Oc2ccc(F)cc2F)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene?
The InChIKey is AYENRQLLABGZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF2O3S/c1-20(17,18)9-3-5-12(10(14)7-9)19-13-4-2-8(15)6-11(13)16/h2-7H,1H3.
What are the key properties of 1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene?
1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene has a molecular weight of 363.18 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene is sourced from PubChem (CID 118022172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).