1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene

C36H26O8S3 — CID 175665287

IUPAC1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
SMILESO=S(=O)(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H26O8S3/c37-45(38,31-7-3-1-4-8-31)33-19-11-27(12-20-33)43-29-15-23-35(24-16-29)47(41,42)36-25-17-30(18-26-36)44-28-13-21-34(22-14-28)46(39,40)32-9-5-2-6-10-32/h1-26H
InChIKeyQTGVWYAGYKUHRU-UHFFFAOYSA-N
MW682.80 g/mol
LogP7.77
Rot. Bonds10

About 1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene

1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene (PubChem CID 175665287) has the molecular formula C36H26O8S3 and a molecular weight of 682.80 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
PubChem CID175665287
Molecular FormulaC36H26O8S3
Molecular Weight682.80 g/mol
Exact Mass682.08
IUPAC Name1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene
SMILESO=S(=O)(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C36H26O8S3/c37-45(38,31-7-3-1-4-8-31)33-19-11-27(12-20-33)43-29-15-23-35(24-16-29)47(41,42)36-25-17-30(18-26-36)44-28-13-21-34(22-14-28)46(39,40)32-9-5-2-6-10-32/h1-26H
InChIKeyQTGVWYAGYKUHRU-UHFFFAOYSA-N
XLogP7.77
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.80
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[4-[4-[4-[4-(4-aminophenoxy)phenoxy]phenyl]sulfonylphenoxy]phenoxy]aniline;benzenesulfonylbenzene
CID 158973912
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
1-[4-(benzenesulfonyl)phenoxy]-4-[(2-methylpropan-2-yl)oxy]benzene
CID 155030070
4-[4-[4-(4-aminophenoxy)phenyl]sulfonylphenoxy]aniline;1,1'-biphenyl
CID 160996826
4-[4-[4-[4-(4-phenylphenoxy)phenyl]sulfonylphenoxy]phenyl]phenol
CID 155639778
5-(benzenesulfonyl)-2-[4-(benzenesulfonyl)phenoxy]-1,3-dimethylbenzene
CID 139724883
4-(4-hydroxyphenoxy)phenol;4-(4-hydroxyphenyl)sulfonylphenol
CID 161283209
4-[3-(benzenesulfonyl)phenoxy]aniline
CID 175222333
1-(2-methylpropyl)-4-[4-(4-phenoxyphenyl)sulfonylphenoxy]benzene
CID 139568524
2-[4-(benzenesulfonyl)phenoxy]-5-fluoropyrimidine
CID 166234271
1-(benzenesulfonyl)-4-ethoxybenzene
CID 12563171
[3-[4-[4-(3-benzoylphenoxy)phenyl]sulfonylphenoxy]phenyl]-phenylmethanone
CID 175364339

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene?
The IUPAC name of 1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene (CID 175665287) is 1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene.
What is the SMILES notation for 1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene?
The canonical SMILES for 1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene is O=S(=O)(c1ccccc1)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(S(=O)(=O)c5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene?
The InChIKey is QTGVWYAGYKUHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26O8S3/c37-45(38,31-7-3-1-4-8-31)33-19-11-27(12-20-33)43-29-15-23-35(24-16-29)47(41,42)36-25-17-30(18-26-36)44-28-13-21-34(22-14-28)46(39,40)32-9-5-2-6-10-32/h1-26H.
What are the key properties of 1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene?
1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene has a molecular weight of 682.80 g/mol, XLogP of 7.77, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-[4-[4-[4-(benzenesulfonyl)phenoxy]phenyl]sulfonylphenoxy]benzene is sourced from PubChem (CID 175665287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).