4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene

C148H181F4N5O20S11 — CID 159501925

About 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene

4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene (PubChem CID 159501925) has the molecular formula C148H181F4N5O20S11 and a molecular weight of 2778.82 g/mol. Its IUPAC name is 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene.

Molecular Properties

• Compound Name: 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene
• PubChem CID: 159501925
• Molecular Formula: C148H181F4N5O20S11
• Molecular Weight: 2778.82 g/mol
• Exact Mass: 2776.02
• IUPAC Name: 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene
• SMILES: CC(C)(C)S(=O)(=O)Cc1ccc(CCCCc2ccc(S(N)(=O)=O)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc3ocnc3c2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2nnc(-c3ccc(F)cc3)s2)cc1.COc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc(OC)c1OC.Cc1c(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc2ncsc12.Cc1cc(C(F)(F)F)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)cc1.Cc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc2ccsc12
• InChI: InChI=1S/C22H30O5S.C22H26O2S2.C21H25F3O2S.C21H23FN2O2S2.C21H29NO4S2.C21H25NO2S2.C20H23NO3S/c1-22(2,3)28(23,24)15-17-10-7-16(8-11-17)9-12-18-13-19(25-4)21(27-6)20(14-18)26-5;1-16-13-19(14-20-11-12-25-21(16)20)10-7-17-5-8-18(9-6-17)15-26(23,24)22(2,3)4;1-15-13-19(21(22,23)24)12-11-18(15)10-9-16-5-7-17(8-6-16)14-27(25,26)20(2,3)4;1-21(2,3)28(25,26)14-16-6-4-15(5-7-16)8-13-19-23-24-20(27-19)17-9-11-18(22)12-10-17;1-21(2,3)27(23,24)16-19-10-8-17(9-11-19)6-4-5-7-18-12-14-20(15-13-18)28(22,25)26;1-15-18(11-12-19-20(15)25-14-22-19)10-9-16-5-7-17(8-6-16)13-26(23,24)21(2,3)4;1-20(2,3)25(22,23)13-17-8-5-15(6-9-17)4-7-16-10-11-19-18(12-16)21-14-24-19/h7-8,10-11,13-14H,9,12,15H2,1-6H3;5-6,8-9,11-14H,7,10,15H2,1-4H3;5-8,11-13H,9-10,14H2,1-4H3;4-7,9-12H,8,13-14H2,1-3H3;8-15H,4-7,16H2,1-3H3,(H2,22,25,26);5-8,11-12,14H,9-10,13H2,1-4H3;5-6,8-12,14H,4,7,13H2,1-3H3
• InChIKey: LZMOHPYJJZWNFX-UHFFFAOYSA-N
• XLogP: 33.32
• TPSA: 391.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 42
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2778.82
LogP ≤ 5	33.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene?

The IUPAC name of 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene (CID 159501925) is 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene.

What is the SMILES notation for 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene?

The canonical SMILES for 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene is CC(C)(C)S(=O)(=O)Cc1ccc(CCCCc2ccc(S(N)(=O)=O)cc2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2ccc3ocnc3c2)cc1.CC(C)(C)S(=O)(=O)Cc1ccc(CCc2nnc(-c3ccc(F)cc3)s2)cc1.COc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc(OC)c1OC.Cc1c(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)ccc2ncsc12.Cc1cc(C(F)(F)F)ccc1CCc1ccc(CS(=O)(=O)C(C)(C)C)cc1.Cc1cc(CCc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc2ccsc12.

What is the InChIKey of 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene?

The InChIKey is LZMOHPYJJZWNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O5S.C22H26O2S2.C21H25F3O2S.C21H23FN2O2S2.C21H29NO4S2.C21H25NO2S2.C20H23NO3S/c1-22(2,3)28(23,24)15-17-10-7-16(8-11-17)9-12-18-13-19(25-4)21(27-6)20(14-18)26-5;1-16-13-19(14-20-11-12-25-21(16)20)10-7-17-5-8-18(9-6-17)15-26(23,24)22(2,3)4;1-15-13-19(21(22,23)24)12-11-18(15)10-9-16-5-7-17(8-6-16)14-27(25,26)20(2,3)4;1-21(2,3)28(25,26)14-16-6-4-15(5-7-16)8-13-19-23-24-20(27-19)17-9-11-18(22)12-10-17;1-21(2,3)27(23,24)16-19-10-8-17(9-11-19)6-4-5-7-18-12-14-20(15-13-18)28(22,25)26;1-15-18(11-12-19-20(15)25-14-22-19)10-9-16-5-7-17(8-6-16)13-26(23,24)21(2,3)4;1-20(2,3)25(22,23)13-17-8-5-15(6-9-17)4-7-16-10-11-19-18(12-16)21-14-24-19/h7-8,10-11,13-14H,9,12,15H2,1-6H3;5-6,8-9,11-14H,7,10,15H2,1-4H3;5-8,11-13H,9-10,14H2,1-4H3;4-7,9-12H,8,13-14H2,1-3H3;8-15H,4-7,16H2,1-3H3,(H2,22,25,26);5-8,11-12,14H,9-10,13H2,1-4H3;5-6,8-12,14H,4,7,13H2,1-3H3.

What are the key properties of 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene?

4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene has a molecular weight of 2778.82 g/mol, XLogP of 33.32, 42 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(tert-butylsulfonylmethyl)phenyl]butyl]benzenesulfonamide;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,3-benzoxazole;2-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-5-(4-fluorophenyl)-1,3,4-thiadiazole;6-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1,3-benzothiazole;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-7-methyl-1-benzothiophene;1-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-2-methyl-4-(trifluoromethyl)benzene;5-[2-[4-(tert-butylsulfonylmethyl)phenyl]ethyl]-1,2,3-trimethoxybenzene is sourced from PubChem (CID 159501925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).