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

C105H144O13S4 — CID 158604521

About 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

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 (PubChem CID 158604521) has the molecular formula C105H144O13S4 and a molecular weight of 1742.56 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158604521
• Molecular Formula: C105H144O13S4
• Molecular Weight: 1742.56 g/mol
• Exact Mass: 1740.95
• IUPAC Name: 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
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1
• InChI: InChI=1S/C29H28O4S.C26H22O5S2.C26H22O4S.12C2H6/c1-21-5-7-22(8-6-21)29(2,3)23-9-11-25(12-10-23)33-26-15-19-28(20-16-26)34(30,31)27-17-13-24(32-4)14-18-27;1-19-3-11-23(12-4-19)32(27,28)24-13-5-20(6-14-24)21-7-15-25(16-8-21)33(29,30)26-17-9-22(31-2)10-18-26;1-19-3-5-20(6-4-19)21-7-9-23(10-8-21)30-24-13-17-26(18-14-24)31(27,28)25-15-11-22(29-2)12-16-25;12*1-2/h5-20H,1-4H3;3-18H,1-2H3;3-18H,1-2H3;12*1-2H3
• InChIKey: HWAWWHSTVROHQL-UHFFFAOYSA-N
• XLogP: 30.90
• TPSA: 182.71 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1742.56
LogP ≤ 5	30.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(S(=O)(=O)c2ccc(-c3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(C)cc4)cc3)cc2)cc1.

What is the InChIKey of 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?

The InChIKey is HWAWWHSTVROHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4S.C26H22O5S2.C26H22O4S.12C2H6/c1-21-5-7-22(8-6-21)29(2,3)23-9-11-25(12-10-23)33-26-15-19-28(20-16-26)34(30,31)27-17-13-24(32-4)14-18-27;1-19-3-11-23(12-4-19)32(27,28)24-13-5-20(6-14-24)21-7-15-25(16-8-21)33(29,30)26-17-9-22(31-2)10-18-26;1-19-3-5-20(6-4-19)21-7-9-23(10-8-21)30-24-13-17-26(18-14-24)31(27,28)25-15-11-22(29-2)12-16-25;12*1-2/h5-20H,1-4H3;3-18H,1-2H3;3-18H,1-2H3;12*1-2H3.

What are the key properties of 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?

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 has a molecular weight of 1742.56 g/mol, XLogP of 30.90, 19 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158604521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).