[4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium

C28H27O4S+ — CID 143174606

IUPAC[4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium
SMILESCC(C)(C)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc([OH2+])cc4)cc3)cc2)cc1
InChIInChI=1S/C28H26O4S/c1-28(2,3)22-8-16-26(17-9-22)33(30,31)27-18-14-25(15-19-27)32-24-12-6-21(7-13-24)20-4-10-23(29)11-5-20/h4-19,29H,1-3H3/p+1
InChIKeyYLANBWRNSAMASR-UHFFFAOYSA-O
MW459.59 g/mol
LogP6.71
Rot. Bonds5

About [4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium

[4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium (PubChem CID 143174606) has the molecular formula C28H27O4S+ and a molecular weight of 459.59 g/mol. Its IUPAC name is [4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium.

Molecular Properties

Compound Name[4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium
PubChem CID143174606
Molecular FormulaC28H27O4S+
Molecular Weight459.59 g/mol
Exact Mass459.16
IUPAC Name[4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium
SMILESCC(C)(C)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc([OH2+])cc4)cc3)cc2)cc1
InChIInChI=1S/C28H26O4S/c1-28(2,3)22-8-16-26(17-9-22)33(30,31)27-18-14-25(15-19-27)32-24-12-6-21(7-13-24)20-4-10-23(29)11-5-20/h4-19,29H,1-3H3/p+1
InChIKeyYLANBWRNSAMASR-UHFFFAOYSA-O
XLogP6.71
TPSA66.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze [4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenyl]phenyl]sulfonyl-4-methylbenzene
CID 158493330
1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-4-methylbenzene;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158201079
1-tert-butyl-4-(4-methylsulfonylphenoxy)benzene
CID 153290833
ethane;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-4-methylbenzene;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenyl]phenyl]sulfonyl-4-methylbenzene
CID 158604521
1-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 59008627
1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 59165224
1-tert-butyl-4-[1-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]ethyl]benzene
CID 155477330
[4-(4-tert-butylphenoxy)phenyl]-imino-methyl-oxo-λ6-sulfane
CID 176760379
4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 134487494
1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-[4-[4-[4-[4-[2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;1-methyl-4-(4-methylsulfonylphenyl)sulfonylbenzene
CID 157337856
4-[4-[4-[4-[4-(4-carboxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]benzoic acid
CID 22404867
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

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium?
The IUPAC name of [4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium (CID 143174606) is [4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium.
What is the SMILES notation for [4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium?
The canonical SMILES for [4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium is CC(C)(C)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc([OH2+])cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium?
The InChIKey is YLANBWRNSAMASR-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H26O4S/c1-28(2,3)22-8-16-26(17-9-22)33(30,31)27-18-14-25(15-19-27)32-24-12-6-21(7-13-24)20-4-10-23(29)11-5-20/h4-19,29H,1-3H3/p+1.
What are the key properties of [4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium?
[4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium has a molecular weight of 459.59 g/mol, XLogP of 6.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-(4-tert-butylphenyl)sulfonylphenoxy]phenyl]phenyl]oxidanium is sourced from PubChem (CID 143174606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).