1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene

C20H18O6S2 — CID 71186281

IUPAC1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C20H18O6S2/c1-25-15-3-7-17(8-4-15)27(21,22)19-11-13-20(14-12-19)28(23,24)18-9-5-16(26-2)6-10-18/h3-14H,1-2H3
InChIKeySFDYSUILEJNVJT-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.37
Rot. Bonds6

About 1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene

1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene (PubChem CID 71186281) has the molecular formula C20H18O6S2 and a molecular weight of 418.49 g/mol. Its IUPAC name is 1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
PubChem CID71186281
Molecular FormulaC20H18O6S2
Molecular Weight418.49 g/mol
Exact Mass418.05
IUPAC Name1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
SMILESCOc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C20H18O6S2/c1-25-15-3-7-17(8-4-15)27(21,22)19-11-13-20(14-12-19)28(23,24)18-9-5-16(26-2)6-10-18/h3-14H,1-2H3
InChIKeySFDYSUILEJNVJT-UHFFFAOYSA-N
XLogP3.37
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-methoxyphenyl)sulfonylphenyl] hypoiodite
CID 118689702
1-(4-ethoxyphenyl)sulfonyl-4-methoxybenzene
CID 59120135
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
1,2,3-tris[(4-methoxyphenyl)sulfonyl]benzene
CID 91532312
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
CID 91541647
[4-[4-(4-methoxybenzoyl)oxyphenyl]sulfonylphenyl] 4-methoxybenzoate
CID 2379395
4-methoxybenzenesulfonyl iodide
CID 23080708
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenyl]methanol
CID 90128560
formaldehyde;methyl 4-(4-methoxyphenyl)sulfonylbenzoate
CID 143113216
2-amino-5-(4-methoxyphenyl)sulfonylphenol
CID 168654688

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene?
The IUPAC name of 1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene (CID 71186281) is 1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene.
What is the SMILES notation for 1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene?
The canonical SMILES for 1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene is COc1ccc(S(=O)(=O)c2ccc(S(=O)(=O)c3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene?
The InChIKey is SFDYSUILEJNVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O6S2/c1-25-15-3-7-17(8-4-15)27(21,22)19-11-13-20(14-12-19)28(23,24)18-9-5-16(26-2)6-10-18/h3-14H,1-2H3.
What are the key properties of 1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene?
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene has a molecular weight of 418.49 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene is sourced from PubChem (CID 71186281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).