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

C60H58O17S6 — CID 139819709

IUPAC2-(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
SMILESCc1ccc(S(=O)(=O)c2cc(S(=O)(=O)c3ccc(OCCOCCOc4ccc(S(=O)(=O)c5ccc(O)c(S(=O)(=O)c6ccc(C)cc6C)c5)cc4S(=O)(=O)c4ccc(C)cc4C)c(S(=O)(=O)c4ccc(C)cc4C)c3)ccc2O)c(C)c1
InChIInChI=1S/C60H58O17S6/c1-37-9-21-53(41(5)29-37)80(67,68)57-33-45(13-17-49(57)61)78(63,64)47-15-19-51(59(35-47)82(71,72)55-23-11-39(3)31-43(55)7)76-27-25-75-26-28-77-52-20-16-48(36-60(52)83(73,74)56-24-12-40(4)32-44(56)8)79(65,66)46-14-18-50(62)58(34-46)81(69,70)54-22-10-38(2)30-42(54)6/h9-24,29-36,61-62H,25-28H2,1-8H3
InChIKeySTNPFAGXBLWJOA-UHFFFAOYSA-N
MW1243.51 g/mol
LogP10.04
Rot. Bonds20

About 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

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 (PubChem CID 139819709) has the molecular formula C60H58O17S6 and a molecular weight of 1243.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID139819709
Molecular FormulaC60H58O17S6
Molecular Weight1243.51 g/mol
Exact Mass1242.20
IUPAC Name2-(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
SMILESCc1ccc(S(=O)(=O)c2cc(S(=O)(=O)c3ccc(OCCOCCOc4ccc(S(=O)(=O)c5ccc(O)c(S(=O)(=O)c6ccc(C)cc6C)c5)cc4S(=O)(=O)c4ccc(C)cc4C)c(S(=O)(=O)c4ccc(C)cc4C)c3)ccc2O)c(C)c1
InChIInChI=1S/C60H58O17S6/c1-37-9-21-53(41(5)29-37)80(67,68)57-33-45(13-17-49(57)61)78(63,64)47-15-19-51(59(35-47)82(71,72)55-23-11-39(3)31-43(55)7)76-27-25-75-26-28-77-52-20-16-48(36-60(52)83(73,74)56-24-12-40(4)32-44(56)8)79(65,66)46-14-18-50(62)58(34-46)81(69,70)54-22-10-38(2)30-42(54)6/h9-24,29-36,61-62H,25-28H2,1-8H3
InChIKeySTNPFAGXBLWJOA-UHFFFAOYSA-N
XLogP10.04
TPSA272.99 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001243.51
LogP ≤ 510.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2,4-bis[(2,4-dimethylphenyl)sulfonyl]phenol
CID 19349285
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
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
2,4-bis[(2,4,6-trimethylphenyl)sulfonyl]phenol
CID 19349207
5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzenesulfonamide
CID 61490332
2-[[2,4-bis-(4-methylphenyl)sulfonylphenoxy]methyl]oxirane
CID 19349206
1-[2-(2-methoxyethoxy)ethoxy]-2,4-dimethylbenzene
CID 64764967
2,4-bis[(2,4-dimethylphenyl)sulfonyl]-5-propan-2-ylphenol
CID 139696732
2-[2-(2,4-dimethylphenoxy)ethoxy]ethanamine
CID 28749670
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354127
sodium 2-(2,4-dimethylphenoxy)ethyl sulfate
CID 22892677
ethyl 4-methyl-2-[2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzenesulfonate
CID 126673442

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(S(=O)(=O)c2cc(S(=O)(=O)c3ccc(OCCOCCOc4ccc(S(=O)(=O)c5ccc(O)c(S(=O)(=O)c6ccc(C)cc6C)c5)cc4S(=O)(=O)c4ccc(C)cc4C)c(S(=O)(=O)c4ccc(C)cc4C)c3)ccc2O)c(C)c1.
What is the InChIKey of 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?
The InChIKey is STNPFAGXBLWJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H58O17S6/c1-37-9-21-53(41(5)29-37)80(67,68)57-33-45(13-17-49(57)61)78(63,64)47-15-19-51(59(35-47)82(71,72)55-23-11-39(3)31-43(55)7)76-27-25-75-26-28-77-52-20-16-48(36-60(52)83(73,74)56-24-12-40(4)32-44(56)8)79(65,66)46-14-18-50(62)58(34-46)81(69,70)54-22-10-38(2)30-42(54)6/h9-24,29-36,61-62H,25-28H2,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 1243.51 g/mol, XLogP of 10.04, 20 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 139819709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).