1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene

C24H16Br2O4S — CID 20520967

IUPAC1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Oc2cccc(Br)c2)cc1
InChIInChI=1S/C24H16Br2O4S/c25-17-4-6-19(7-5-17)29-20-8-12-23(13-9-20)31(27,28)24-14-10-21(11-15-24)30-22-3-1-2-18(26)16-22/h1-16H
InChIKeyPALHOOCSNHAITL-UHFFFAOYSA-N
MW560.26 g/mol
LogP7.63
Rot. Bonds6

About 1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene

1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene (PubChem CID 20520967) has the molecular formula C24H16Br2O4S and a molecular weight of 560.26 g/mol. Its IUPAC name is 1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene
PubChem CID20520967
Molecular FormulaC24H16Br2O4S
Molecular Weight560.26 g/mol
Exact Mass557.91
IUPAC Name1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Oc2cccc(Br)c2)cc1
InChIInChI=1S/C24H16Br2O4S/c25-17-4-6-19(7-5-17)29-20-8-12-23(13-9-20)31(27,28)24-14-10-21(11-15-24)30-22-3-1-2-18(26)16-22/h1-16H
InChIKeyPALHOOCSNHAITL-UHFFFAOYSA-N
XLogP7.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.26
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(3-bromophenoxy)phenyl]sulfonylphenoxy]-3-[4-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
CID 20521001
3-(4-bromophenoxy)benzenesulfonyl chloride
CID 102537230
3-[4-[4-(3-sulfanylphenoxy)phenyl]sulfonylphenoxy]benzenethiol
CID 170780586
1-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]-2-[4-[4-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylbenzene
CID 20521157
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
CID 175665287
[4-[4-[3-(4-methylsulfonyloxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenyl] methanesulfonate
CID 22336466
1-ethynyl-3-[4-[4-[4-[4-[4-[3-[4-[4-(4-ethynylphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]benzene
CID 20521209
[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone
CID 175364339
3-(4-bromophenoxy)benzaldehyde
CID 12874363
4-(3-bromophenoxy)-2-methylbenzenesulfonyl chloride
CID 43436489

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene?
The IUPAC name of 1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene (CID 20520967) is 1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene.
What is the SMILES notation for 1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene?
The canonical SMILES for 1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene is O=S(=O)(c1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Oc2cccc(Br)c2)cc1.
What is the InChIKey of 1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene?
The InChIKey is PALHOOCSNHAITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Br2O4S/c25-17-4-6-19(7-5-17)29-20-8-12-23(13-9-20)31(27,28)24-14-10-21(11-15-24)30-22-3-1-2-18(26)16-22/h1-16H.
What are the key properties of 1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene?
1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene has a molecular weight of 560.26 g/mol, XLogP of 7.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[4-[4-(4-bromophenoxy)phenyl]sulfonylphenoxy]benzene is sourced from PubChem (CID 20520967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).