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

C148H130O28S9 — CID 157337856

IUPAC1-[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
SMILESCOc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C53H44O10S3.C29H28O4S.C26H22O6S2.C26H22O4S.C14H14O4S2/c1-37-5-25-47(26-6-37)64(54,55)48-27-17-43(18-28-48)62-44-19-33-51(34-20-44)66(58,59)52-35-23-46(24-36-52)63-45-21-31-50(32-22-45)65(56,57)49-29-15-42(16-30-49)61-41-13-9-39(10-14-41)53(2,3)38-7-11-40(60-4)12-8-38;1-21-5-17-27(18-6-21)34(30,31)28-19-15-26(16-20-28)33-25-13-9-23(10-14-25)29(2,3)22-7-11-24(32-4)12-8-22;1-19-3-11-23(12-4-19)33(27,28)25-15-7-21(8-16-25)32-22-9-17-26(18-10-22)34(29,30)24-13-5-20(31-2)6-14-24;1-19-3-15-25(16-4-19)31(27,28)26-17-13-24(14-18-26)30-23-11-7-21(8-12-23)20-5-9-22(29-2)10-6-20;1-11-3-5-13(6-4-11)20(17,18)14-9-7-12(8-10-14)19(2,15)16/h5-36H,1-4H3;5-20H,1-4H3;3-18H,1-2H3;3-18H,1-2H3;3-10H,1-2H3
InChIKeyBGAYECCFWIMFOR-UHFFFAOYSA-N
MW2645.24 g/mol
LogP33.15
Rot. Bonds38

About 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

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 (PubChem CID 157337856) has the molecular formula C148H130O28S9 and a molecular weight of 2645.24 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID157337856
Molecular FormulaC148H130O28S9
Molecular Weight2645.24 g/mol
Exact Mass2642.62
IUPAC Name1-[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
SMILESCOc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C53H44O10S3.C29H28O4S.C26H22O6S2.C26H22O4S.C14H14O4S2/c1-37-5-25-47(26-6-37)64(54,55)48-27-17-43(18-28-48)62-44-19-33-51(34-20-44)66(58,59)52-35-23-46(24-36-52)63-45-21-31-50(32-22-45)65(56,57)49-29-15-42(16-30-49)61-41-13-9-39(10-14-41)53(2,3)38-7-11-40(60-4)12-8-38;1-21-5-17-27(18-6-21)34(30,31)28-19-15-26(16-20-28)33-25-13-9-23(10-14-25)29(2,3)22-7-11-24(32-4)12-8-22;1-19-3-11-23(12-4-19)33(27,28)25-15-7-21(8-16-25)32-22-9-17-26(18-10-22)34(29,30)24-13-5-20(31-2)6-14-24;1-19-3-15-25(16-4-19)31(27,28)26-17-13-24(14-18-26)30-23-11-7-21(8-12-23)20-5-9-22(29-2)10-6-20;1-11-3-5-13(6-4-11)20(17,18)14-9-7-12(8-10-14)19(2,15)16/h5-36H,1-4H3;5-20H,1-4H3;3-18H,1-2H3;3-18H,1-2H3;3-10H,1-2H3
InChIKeyBGAYECCFWIMFOR-UHFFFAOYSA-N
XLogP33.15
TPSA399.56 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds38
Heavy Atoms185
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002645.24
LogP ≤ 533.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 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 with MolForge

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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
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
methane;1-[2-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]-4-methylbenzene
CID 161249508
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
1-methyl-4-[4-[4-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylbenzene
CID 142408445
methanesulfonic acid;1-[4-[4-[4-[4-(4-methoxyphenoxy)phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 90873606
(4-methoxyphenyl)-methylidene-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-oxo-λ6-sulfane
CID 144623140
1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[2-[4-[4-[4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]-3-prop-2-enylphenyl]propan-2-yl]-2-prop-2-enylbenzene
CID 59409169
[4-[4-(4-methoxyphenyl)phenoxy]phenyl]-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]phenoxy]phenyl]methanone
CID 58922237
1-methoxy-4-[2-[4-(4-propan-2-ylsulfonylphenoxy)phenyl]propan-2-yl]benzene
CID 135139809
ethane;1-methoxy-4-(4-methylsulfonylphenyl)benzene
CID 178021932

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(C(C)(C)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc(S(=O)(=O)c6ccc(Oc7ccc(S(=O)(=O)c8ccc(C)cc8)cc7)cc6)cc5)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is BGAYECCFWIMFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44O10S3.C29H28O4S.C26H22O6S2.C26H22O4S.C14H14O4S2/c1-37-5-25-47(26-6-37)64(54,55)48-27-17-43(18-28-48)62-44-19-33-51(34-20-44)66(58,59)52-35-23-46(24-36-52)63-45-21-31-50(32-22-45)65(56,57)49-29-15-42(16-30-49)61-41-13-9-39(10-14-41)53(2,3)38-7-11-40(60-4)12-8-38;1-21-5-17-27(18-6-21)34(30,31)28-19-15-26(16-20-28)33-25-13-9-23(10-14-25)29(2,3)22-7-11-24(32-4)12-8-22;1-19-3-11-23(12-4-19)33(27,28)25-15-7-21(8-16-25)32-22-9-17-26(18-10-22)34(29,30)24-13-5-20(31-2)6-14-24;1-19-3-15-25(16-4-19)31(27,28)26-17-13-24(14-18-26)30-23-11-7-21(8-12-23)20-5-9-22(29-2)10-6-20;1-11-3-5-13(6-4-11)20(17,18)14-9-7-12(8-10-14)19(2,15)16/h5-36H,1-4H3;5-20H,1-4H3;3-18H,1-2H3;3-18H,1-2H3;3-10H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 2645.24 g/mol, XLogP of 33.15, 38 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157337856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).