butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone

C122H118F6O29S8 — CID 159274648

About butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone

butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone (PubChem CID 159274648) has the molecular formula C122H118F6O29S8 and a molecular weight of 2418.78 g/mol. Its IUPAC name is butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone.

Molecular Properties

• Compound Name: butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone
• PubChem CID: 159274648
• Molecular Formula: C122H118F6O29S8
• Molecular Weight: 2418.78 g/mol
• Exact Mass: 2416.54
• IUPAC Name: butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone
• SMILES: CC(=O)c1ccccc1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.CCCCS(=O)(=O)O.COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.CS(=O)(=O)O.CS(=O)(=O)O
• InChI: InChI=1S/4C26H22O4S.C8H8O.C4H4F6O3S.C4H10O3S.2CH4O3S/c4*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;1-7(9)8-5-3-2-4-6-8;1-2(5,6)3(7,8)4(9,10)14(11,12)13;1-2-3-4-8(5,6)7;2*1-5(2,3)4/h4*3-18H,1-2H3;2-6H,1H3;1H3,(H,11,12,13);2-4H2,1H3,(H,5,6,7);2*1H3,(H,2,3,4)
• InChIKey: JKPJZKSJPMQNIC-UHFFFAOYSA-N
• XLogP: 28.51
• TPSA: 444.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 31
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2418.78
LogP ≤ 5	28.51
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone?

The IUPAC name of butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone (CID 159274648) is butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone.

What is the SMILES notation for butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone?

The canonical SMILES for butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone is CC(=O)c1ccccc1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.CCCCS(=O)(=O)O.COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.COc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1.CS(=O)(=O)O.CS(=O)(=O)O.

What is the InChIKey of butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone?

The InChIKey is JKPJZKSJPMQNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C26H22O4S.C8H8O.C4H4F6O3S.C4H10O3S.2CH4O3S/c4*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;1-7(9)8-5-3-2-4-6-8;1-2(5,6)3(7,8)4(9,10)14(11,12)13;1-2-3-4-8(5,6)7;2*1-5(2,3)4/h4*3-18H,1-2H3;2-6H,1H3;1H3,(H,11,12,13);2-4H2,1H3,(H,5,6,7);2*1H3,(H,2,3,4).

What are the key properties of butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone?

butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone has a molecular weight of 2418.78 g/mol, XLogP of 28.51, 31 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for butane-1-sulfonic acid;1,1,2,2,3,3-hexafluorobutane-1-sulfonic acid;methanesulfonic acid;tetrakis(1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene);1-phenylethanone is sourced from PubChem (CID 159274648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).