N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

C107H78F26N10O16S5 — CID 165046936

About N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 165046936) has the molecular formula C107H78F26N10O16S5 and a molecular weight of 2414.14 g/mol. Its IUPAC name is N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
• PubChem CID: 165046936
• Molecular Formula: C107H78F26N10O16S5
• Molecular Weight: 2414.14 g/mol
• Exact Mass: 2412.38
• IUPAC Name: N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
• SMILES: CC(=O)c1ccc(CN(Cc2ccc(F)cn2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccc(F)nc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)c(C(F)(F)F)c1.CC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)c(F)c1.COc1cc(C(C)=O)ccc1CN(Cc1cccnc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F
• InChI: InChI=1S/C22H15F7N2O3S.C22H18F4N2O4S.3C21H15F5N2O3S/c1-12(32)14-4-5-15(16(7-14)22(27,28)29)11-31(10-13-3-2-6-30-9-13)35(33,34)18-8-17(23)19(24)21(26)20(18)25;1-13(29)15-5-6-16(18(8-15)32-2)12-28(11-14-4-3-7-27-10-14)33(30,31)19-9-17(23)20(24)22(26)21(19)25;1-12(29)15-5-2-13(3-6-15)10-28(11-14-4-7-18(23)27-9-14)32(30,31)17-8-16(22)19(24)21(26)20(17)25;1-12(29)14-4-2-13(3-5-14)10-28(11-16-7-6-15(22)9-27-16)32(30,31)18-8-17(23)19(24)21(26)20(18)25;1-12(29)14-4-5-15(16(22)7-14)11-28(10-13-3-2-6-27-9-13)32(30,31)18-8-17(23)19(24)21(26)20(18)25/h2-9H,10-11H2,1H3;3-10H,11-12H2,1-2H3;3*2-9H,10-11H2,1H3
• InChIKey: PBEPLSYUSXUVJE-UHFFFAOYSA-N
• XLogP: 22.60
• TPSA: 345.93 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 36
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2414.14
LogP ≤ 5	22.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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 N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?

The IUPAC name of N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 165046936) is N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide.

What is the SMILES notation for N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?

The canonical SMILES for N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(CN(Cc2ccc(F)cn2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2ccc(F)nc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)cc1.CC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)c(C(F)(F)F)c1.CC(=O)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2cc(F)c(F)c(F)c2F)c(F)c1.COc1cc(C(C)=O)ccc1CN(Cc1cccnc1)S(=O)(=O)c1cc(F)c(F)c(F)c1F.

What is the InChIKey of N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?

The InChIKey is PBEPLSYUSXUVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F7N2O3S.C22H18F4N2O4S.3C21H15F5N2O3S/c1-12(32)14-4-5-15(16(7-14)22(27,28)29)11-31(10-13-3-2-6-30-9-13)35(33,34)18-8-17(23)19(24)21(26)20(18)25;1-13(29)15-5-6-16(18(8-15)32-2)12-28(11-14-4-3-7-27-10-14)33(30,31)19-9-17(23)20(24)22(26)21(19)25;1-12(29)15-5-2-13(3-6-15)10-28(11-14-4-7-18(23)27-9-14)32(30,31)17-8-16(22)19(24)21(26)20(17)25;1-12(29)14-4-2-13(3-5-14)10-28(11-16-7-6-15(22)9-27-16)32(30,31)18-8-17(23)19(24)21(26)20(18)25;1-12(29)14-4-5-15(16(22)7-14)11-28(10-13-3-2-6-27-9-13)32(30,31)18-8-17(23)19(24)21(26)20(18)25/h2-9H,10-11H2,1H3;3-10H,11-12H2,1-2H3;3*2-9H,10-11H2,1H3.

What are the key properties of N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?

N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 2414.14 g/mol, XLogP of 22.60, 36 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-acetyl-2-fluorophenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetyl-2-methoxyphenyl)methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(5-fluoro-2-pyridinyl)methyl]benzenesulfonamide;N-[(4-acetylphenyl)methyl]-2,3,4,5-tetrafluoro-N-[(6-fluoro-3-pyridinyl)methyl]benzenesulfonamide;N-[[4-acetyl-2-(trifluoromethyl)phenyl]methyl]-2,3,4,5-tetrafluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 165046936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).