2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene

C155H177F21O18S8 — CID 157466855

About 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene

2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene (PubChem CID 157466855) has the molecular formula C155H177F21O18S8 and a molecular weight of 2983.60 g/mol. Its IUPAC name is 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene.

Molecular Properties

• Compound Name: 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene
• PubChem CID: 157466855
• Molecular Formula: C155H177F21O18S8
• Molecular Weight: 2983.60 g/mol
• Exact Mass: 2981.04
• IUPAC Name: 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene
• SMILES: CCCCCCCS(=O)(=O)c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1.CCCCCCCS(=O)(=O)c1ccc(-c2ccc(OCC)cc2)cc1.CCCCCCCS(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1.CCCCCCS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1.CCCCCCS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1F.CCCCCCS(=O)(=O)c1ccc(-c2ccc(F)cc2F)c(C)c1.CCCCCCS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.CCCCCCS(=O)(=O)c1ccc(-c2cccc(C)c2)cc1
• InChI: InChI=1S/C21H28O3S.C20H23F3O2S.C19H19F5O2S.2C19H20F4O2S.C19H21F3O3S.C19H22F2O2S.C19H24O2S/c1-3-5-6-7-8-17-25(22,23)21-15-11-19(12-16-21)18-9-13-20(14-10-18)24-4-2;1-2-3-4-5-8-15-26(24,25)17-13-11-16(12-14-17)18-9-6-7-10-19(18)20(21,22)23;1-2-3-4-5-6-11-27(25,26)13-9-7-12(8-10-13)14-15(20)17(22)19(24)18(23)16(14)21;1-2-3-4-5-12-26(24,25)18-11-8-15(13-17(18)20)14-6-9-16(10-7-14)19(21,22)23;1-2-3-4-5-12-26(24,25)16-10-11-17(18(20)13-16)14-6-8-15(9-7-14)19(21,22)23;1-2-3-4-5-14-26(23,24)18-12-8-16(9-13-18)15-6-10-17(11-7-15)25-19(20,21)22;1-3-4-5-6-11-24(22,23)16-8-10-17(14(2)12-16)18-9-7-15(20)13-19(18)21;1-3-4-5-6-14-22(20,21)19-12-10-17(11-13-19)18-9-7-8-16(2)15-18/h9-16H,3-8,17H2,1-2H3;6-7,9-14H,2-5,8,15H2,1H3;7-10H,2-6,11H2,1H3;2*6-11,13H,2-5,12H2,1H3;6-13H,2-5,14H2,1H3;7-10,12-13H,3-6,11H2,1-2H3;7-13,15H,3-6,14H2,1-2H3
• InChIKey: BUOUEHDSTARUJO-UHFFFAOYSA-N
• XLogP: 45.05
• TPSA: 291.58 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 62
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2983.60
LogP ≤ 5	45.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene?

The IUPAC name of 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene (CID 157466855) is 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene.

What is the SMILES notation for 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene?

The canonical SMILES for 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene is CCCCCCCS(=O)(=O)c1ccc(-c2c(F)c(F)c(F)c(F)c2F)cc1.CCCCCCCS(=O)(=O)c1ccc(-c2ccc(OCC)cc2)cc1.CCCCCCCS(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1.CCCCCCS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1.CCCCCCS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1F.CCCCCCS(=O)(=O)c1ccc(-c2ccc(F)cc2F)c(C)c1.CCCCCCS(=O)(=O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1.CCCCCCS(=O)(=O)c1ccc(-c2cccc(C)c2)cc1.

What is the InChIKey of 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene?

The InChIKey is BUOUEHDSTARUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O3S.C20H23F3O2S.C19H19F5O2S.2C19H20F4O2S.C19H21F3O3S.C19H22F2O2S.C19H24O2S/c1-3-5-6-7-8-17-25(22,23)21-15-11-19(12-16-21)18-9-13-20(14-10-18)24-4-2;1-2-3-4-5-8-15-26(24,25)17-13-11-16(12-14-17)18-9-6-7-10-19(18)20(21,22)23;1-2-3-4-5-6-11-27(25,26)13-9-7-12(8-10-13)14-15(20)17(22)19(24)18(23)16(14)21;1-2-3-4-5-12-26(24,25)18-11-8-15(13-17(18)20)14-6-9-16(10-7-14)19(21,22)23;1-2-3-4-5-12-26(24,25)16-10-11-17(18(20)13-16)14-6-8-15(9-7-14)19(21,22)23;1-2-3-4-5-14-26(23,24)18-12-8-16(9-13-18)15-6-10-17(11-7-15)25-19(20,21)22;1-3-4-5-6-11-24(22,23)16-8-10-17(14(2)12-16)18-9-7-15(20)13-19(18)21;1-3-4-5-6-14-22(20,21)19-12-10-17(11-13-19)18-9-7-8-16(2)15-18/h9-16H,3-8,17H2,1-2H3;6-7,9-14H,2-5,8,15H2,1H3;7-10H,2-6,11H2,1H3;2*6-11,13H,2-5,12H2,1H3;6-13H,2-5,14H2,1H3;7-10,12-13H,3-6,11H2,1-2H3;7-13,15H,3-6,14H2,1-2H3.

What are the key properties of 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene?

2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene has a molecular weight of 2983.60 g/mol, XLogP of 45.05, 62 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-difluoro-1-(4-hexylsulfonyl-2-methylphenyl)benzene;1-ethoxy-4-(4-heptylsulfonylphenyl)benzene;2-fluoro-1-hexylsulfonyl-4-[4-(trifluoromethyl)phenyl]benzene;2-fluoro-4-hexylsulfonyl-1-[4-(trifluoromethyl)phenyl]benzene;1-(4-heptylsulfonylphenyl)-2-(trifluoromethyl)benzene;1-(4-hexylsulfonylphenyl)-3-methylbenzene;1-(4-hexylsulfonylphenyl)-4-(trifluoromethoxy)benzene;1,2,3,4,5-pentafluoro-6-(4-heptylsulfonylphenyl)benzene is sourced from PubChem (CID 157466855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).