2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol

C50H34Cl4O16S6 — CID 139819703

IUPAC2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(OCCOc2ccc(S(=O)(=O)c3ccc(O)c(S(=O)(=O)c4ccc(Cl)cc4)c3)cc2S(=O)(=O)c2ccc(Cl)cc2)c(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C50H34Cl4O16S6/c51-31-1-9-35(10-2-31)73(61,62)47-27-39(17-21-43(47)55)71(57,58)41-19-23-45(49(29-41)75(65,66)37-13-5-33(53)6-14-37)69-25-26-70-46-24-20-42(30-50(46)76(67,68)38-15-7-34(54)8-16-38)72(59,60)40-18-22-44(56)48(28-40)74(63,64)36-11-3-32(52)4-12-36/h1-24,27-30,55-56H,25-26H2
InChIKeyOPDDMZKNZKWOPY-UHFFFAOYSA-N
MW1225.02 g/mol
LogP10.17
Rot. Bonds17

About 2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol

2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol (PubChem CID 139819703) has the molecular formula C50H34Cl4O16S6 and a molecular weight of 1225.02 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol
PubChem CID139819703
Molecular FormulaC50H34Cl4O16S6
Molecular Weight1225.02 g/mol
Exact Mass1221.89
IUPAC Name2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol
SMILESO=S(=O)(c1ccc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(OCCOc2ccc(S(=O)(=O)c3ccc(O)c(S(=O)(=O)c4ccc(Cl)cc4)c3)cc2S(=O)(=O)c2ccc(Cl)cc2)c(S(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C50H34Cl4O16S6/c51-31-1-9-35(10-2-31)73(61,62)47-27-39(17-21-43(47)55)71(57,58)41-19-23-45(49(29-41)75(65,66)37-13-5-33(53)6-14-37)69-25-26-70-46-24-20-42(30-50(46)76(67,68)38-15-7-34(54)8-16-38)72(59,60)40-18-22-44(56)48(28-40)74(63,64)36-11-3-32(52)4-12-36/h1-24,27-30,55-56H,25-26H2
InChIKeyOPDDMZKNZKWOPY-UHFFFAOYSA-N
XLogP10.17
TPSA263.76 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001225.02
LogP ≤ 510.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol with MolForge

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Related Compounds

4-(benzenesulfonyl)-2-(4-chlorophenyl)sulfonylphenol
CID 19710946
2-(2,4-dimethylphenyl)sulfonyl-4-[3-(2,4-dimethylphenyl)sulfonyl-4-[2-[2-[2-(2,4-dimethylphenyl)sulfonyl-4-[3-(2,4-dimethylphenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]ethoxy]phenyl]sulfonylphenol
CID 139819709
3-[2-hydroxy-5-[4-hydroxy-3-(3-sulfophenyl)sulfonylphenyl]sulfonylphenyl]sulfonylbenzenesulfonic acid
CID 89107671
4-[4-(4-chlorophenyl)sulfonylphenyl]phenol
CID 10450227
5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 877222
2,4-bis[(4-chlorophenyl)sulfonyl]-5-propan-2-ylphenol
CID 139696725
(2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate
CID 141360139
2-[[2,4-bis-(4-methylphenyl)sulfonylphenoxy]methyl]oxirane
CID 19349206
2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
tert-butyl 2-[2-[4-(benzenesulfonyl)phenyl]-4-chlorophenoxy]acetate
CID 86627028
4-chloro-N-[2-(4-chloro-2-methylphenoxy)ethyl]benzenesulfonamide
CID 113102632
N-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonyl-2-methylbenzenesulfonamide
CID 1089389

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol (CID 139819703) is 2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol is O=S(=O)(c1ccc(O)c(S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(OCCOc2ccc(S(=O)(=O)c3ccc(O)c(S(=O)(=O)c4ccc(Cl)cc4)c3)cc2S(=O)(=O)c2ccc(Cl)cc2)c(S(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol?
The InChIKey is OPDDMZKNZKWOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34Cl4O16S6/c51-31-1-9-35(10-2-31)73(61,62)47-27-39(17-21-43(47)55)71(57,58)41-19-23-45(49(29-41)75(65,66)37-13-5-33(53)6-14-37)69-25-26-70-46-24-20-42(30-50(46)76(67,68)38-15-7-34(54)8-16-38)72(59,60)40-18-22-44(56)48(28-40)74(63,64)36-11-3-32(52)4-12-36/h1-24,27-30,55-56H,25-26H2.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol?
2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol has a molecular weight of 1225.02 g/mol, XLogP of 10.17, 17 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol is sourced from PubChem (CID 139819703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).