1-(benzenesulfonylmethoxy)-2,4-dibromobenzene

C13H10Br2O3S — CID 14024562

IUPAC1-(benzenesulfonylmethoxy)-2,4-dibromobenzene
SMILESO=S(=O)(COc1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C13H10Br2O3S/c14-10-6-7-13(12(15)8-10)18-9-19(16,17)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyHTOQGYDWFGGBEF-UHFFFAOYSA-N
MW406.10 g/mol
LogP4.02
Rot. Bonds4

About 1-(benzenesulfonylmethoxy)-2,4-dibromobenzene

1-(benzenesulfonylmethoxy)-2,4-dibromobenzene (PubChem CID 14024562) has the molecular formula C13H10Br2O3S and a molecular weight of 406.10 g/mol. Its IUPAC name is 1-(benzenesulfonylmethoxy)-2,4-dibromobenzene.

Molecular Properties

Compound Name1-(benzenesulfonylmethoxy)-2,4-dibromobenzene
PubChem CID14024562
Molecular FormulaC13H10Br2O3S
Molecular Weight406.10 g/mol
Exact Mass403.87
IUPAC Name1-(benzenesulfonylmethoxy)-2,4-dibromobenzene
SMILESO=S(=O)(COc1ccc(Br)cc1Br)c1ccccc1
InChIInChI=1S/C13H10Br2O3S/c14-10-6-7-13(12(15)8-10)18-9-19(16,17)11-4-2-1-3-5-11/h1-8H,9H2
InChIKeyHTOQGYDWFGGBEF-UHFFFAOYSA-N
XLogP4.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.10
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzenesulfonyl)-2-(2,4-dibromophenoxy)-N-(4-methoxyphenyl)acetamide
CID 19217315
1,4-dibromo-2-[2-(2,4-dibromophenoxy)ethoxy]benzene
CID 59907339
2-[(2,4-dibromophenoxy)methyl]aniline
CID 62055358
2-(benzenesulfonyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 62916683
2-(2,4-dibromophenoxy)ethyl N-phenylcarbamate
CID 2244794
(2,4-dibromophenyl) 2-(2-bromo-4-phenylphenoxy)acetate
CID 23012557
2-[[2-(2,4-dibromophenoxy)acetyl]amino]oxyacetic acid
CID 60668042
bis(2,4-dibromophenyl) carbonate
CID 54492294
[2-[2-(2,4-dibromophenoxy)ethoxy]phenyl]methanamine
CID 64718432
2-[2-(2,4-dibromophenoxy)phenyl]acetic acid
CID 15581881
3-(2,4-dibromophenoxy)-2-methylpropanoic acid
CID 43538016
N-benzyl-2-(2,4-dibromophenoxy)-N-methylacetamide
CID 2632781

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonylmethoxy)-2,4-dibromobenzene?
The IUPAC name of 1-(benzenesulfonylmethoxy)-2,4-dibromobenzene (CID 14024562) is 1-(benzenesulfonylmethoxy)-2,4-dibromobenzene.
What is the SMILES notation for 1-(benzenesulfonylmethoxy)-2,4-dibromobenzene?
The canonical SMILES for 1-(benzenesulfonylmethoxy)-2,4-dibromobenzene is O=S(=O)(COc1ccc(Br)cc1Br)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonylmethoxy)-2,4-dibromobenzene?
The InChIKey is HTOQGYDWFGGBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2O3S/c14-10-6-7-13(12(15)8-10)18-9-19(16,17)11-4-2-1-3-5-11/h1-8H,9H2.
What are the key properties of 1-(benzenesulfonylmethoxy)-2,4-dibromobenzene?
1-(benzenesulfonylmethoxy)-2,4-dibromobenzene has a molecular weight of 406.10 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonylmethoxy)-2,4-dibromobenzene is sourced from PubChem (CID 14024562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).