N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide

C116H84F33N5O15S5 — CID 164974044

About N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide

N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide (PubChem CID 164974044) has the molecular formula C116H84F33N5O15S5 and a molecular weight of 2575.24 g/mol. Its IUPAC name is N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
• PubChem CID: 164974044
• Molecular Formula: C116H84F33N5O15S5
• Molecular Weight: 2575.24 g/mol
• Exact Mass: 2573.40
• IUPAC Name: N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
• SMILES: CC(=O)c1ccc(CN(Cc2cc(F)c(F)c(F)c2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccc(C)c(F)c2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
• InChI: InChI=1S/C26H24F5NO3S.C23H15F8NO3S.C23H17F6NO3S.C22H13F8NO3S.C22H15F6NO3S/c1-15(33)18-9-5-16(6-10-18)13-32(14-17-7-11-19(12-8-17)26(2,3)4)36(34,35)25-23(30)21(28)20(27)22(29)24(25)31;1-12(33)15-6-2-13(3-7-15)10-32(11-14-4-8-16(9-5-14)23(29,30)31)36(34,35)22-20(27)18(25)17(24)19(26)21(22)28;1-12-3-4-15(9-17(12)24)11-30(10-14-5-7-16(8-6-14)13(2)31)34(32,33)23-21(28)19(26)18(25)20(27)22(23)29;1-10(32)13-4-2-11(3-5-13)8-31(9-12-6-14(23)16(25)15(24)7-12)35(33,34)22-20(29)18(27)17(26)19(28)21(22)30;1-12(30)15-6-2-13(3-7-15)10-29(11-14-4-8-16(23)9-5-14)33(31,32)22-20(27)18(25)17(24)19(26)21(22)28/h5-12H,13-14H2,1-4H3;2-9H,10-11H2,1H3;3-9H,10-11H2,1-2H3;2-7H,8-9H2,1H3;2-9H,10-11H2,1H3
• InChIKey: DNFKBAMIHBUUQX-UHFFFAOYSA-N
• XLogP: 28.20
• TPSA: 272.25 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 35
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2575.24
LogP ≤ 5	28.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'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 N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?

The IUPAC name of N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide (CID 164974044) is N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide.

What is the SMILES notation for N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?

The canonical SMILES for N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide is CC(=O)c1ccc(CN(Cc2cc(F)c(F)c(F)c2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccc(C(C)(C)C)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccc(C)c(F)c2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1.

What is the InChIKey of N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?

The InChIKey is DNFKBAMIHBUUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F5NO3S.C23H15F8NO3S.C23H17F6NO3S.C22H13F8NO3S.C22H15F6NO3S/c1-15(33)18-9-5-16(6-10-18)13-32(14-17-7-11-19(12-8-17)26(2,3)4)36(34,35)25-23(30)21(28)20(27)22(29)24(25)31;1-12(33)15-6-2-13(3-7-15)10-32(11-14-4-8-16(9-5-14)23(29,30)31)36(34,35)22-20(27)18(25)17(24)19(26)21(22)28;1-12-3-4-15(9-17(12)24)11-30(10-14-5-7-16(8-6-14)13(2)31)34(32,33)23-21(28)19(26)18(25)20(27)22(23)29;1-10(32)13-4-2-11(3-5-13)8-31(9-12-6-14(23)16(25)15(24)7-12)35(33,34)22-20(29)18(27)17(26)19(28)21(22)30;1-12(30)15-6-2-13(3-7-15)10-29(11-14-4-8-16(23)9-5-14)33(31,32)22-20(27)18(25)17(24)19(26)21(22)28/h5-12H,13-14H2,1-4H3;2-9H,10-11H2,1H3;3-9H,10-11H2,1-2H3;2-7H,8-9H2,1H3;2-9H,10-11H2,1H3.

What are the key properties of N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide?

N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide has a molecular weight of 2575.24 g/mol, XLogP of 28.20, 35 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-acetylphenyl)methyl]-N-[(4-tert-butylphenyl)methyl]-2,3,4,5,6-pentafluorobenzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5,6-pentafluoro-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 164974044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).