4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide

C₉₁H₉₀F₄N₁₆O₁₀S₄ — CID 158292421

About 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide

4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 158292421) has the molecular formula C₉₁H₉₀F₄N₁₆O₁₀S₄ and a molecular weight of 1772.08 g/mol. Its IUPAC name is 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

• Compound Name: 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide
• PubChem CID: 158292421
• Molecular Formula: C₉₁H₉₀F₄N₁₆O₁₀S₄
• Molecular Weight: 1772.08 g/mol
• Exact Mass: 1770.58
• IUPAC Name: 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide
• SMILES: CC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3cnccc23)cc1.COc1ccc(-n2nc(C)cc2NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)c2cccnc12.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2nccc3ccccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n(-c2cccc3cnccc23)n1
• InChI: InChI=1S/C24H25FN4O3S.C23H24N4O2S.C22H19F3N4O2S.C22H22N4O3S/c1-15-13-22(28-33(30,31)16-8-9-18(19(25)14-16)24(2,3)4)29(27-15)20-10-11-21(32-5)23-17(20)7-6-12-26-23;1-16-15-21(26-30(28,29)19-11-9-18(10-12-19)23(2,3)4)27(25-16)22-20-8-6-5-7-17(20)13-14-24-22;1-14(2)15-6-8-17(9-7-15)32(30,31)28-21-12-20(22(23,24)25)27-29(21)19-5-3-4-16-13-26-11-10-18(16)19;1-15(2)29-18-7-9-19(10-8-18)30(27,28)25-22-13-16(3)24-26(22)21-6-4-5-17-14-23-12-11-20(17)21/h6-14,28H,1-5H3;5-15,26H,1-4H3;3-14,28H,1-2H3;4-15,25H,1-3H3
• InChIKey: GLNDJLQBTUORRM-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 325.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1772.08
LogP ≤ 5	19.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide?

The IUPAC name of 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide (CID 158292421) is 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide.

What is the SMILES notation for 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide?

The canonical SMILES for 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3cnccc23)cc1.COc1ccc(-n2nc(C)cc2NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)c2cccnc12.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2nccc3ccccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n(-c2cccc3cnccc23)n1.

What is the InChIKey of 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide?

The InChIKey is GLNDJLQBTUORRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S.C23H24N4O2S.C22H19F3N4O2S.C22H22N4O3S/c1-15-13-22(28-33(30,31)16-8-9-18(19(25)14-16)24(2,3)4)29(27-15)20-10-11-21(32-5)23-17(20)7-6-12-26-23;1-16-15-21(26-30(28,29)19-11-9-18(10-12-19)23(2,3)4)27(25-16)22-20-8-6-5-7-17(20)13-14-24-22;1-14(2)15-6-8-17(9-7-15)32(30,31)28-21-12-20(22(23,24)25)27-29(21)19-5-3-4-16-13-26-11-10-18(16)19;1-15(2)29-18-7-9-19(10-8-18)30(27,28)25-22-13-16(3)24-26(22)21-6-4-5-17-14-23-12-11-20(17)21/h6-14,28H,1-5H3;5-15,26H,1-4H3;3-14,28H,1-2H3;4-15,25H,1-3H3.

What are the key properties of 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide?

4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 1772.08 g/mol, XLogP of 19.48, 20 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(2-isoquinolin-1-yl-5-methylpyrazol-3-yl)benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 158292421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158292421 — identifiers, structure, computed properties (public domain)

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