N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide

C93H94F5N17O8S4 — CID 157313962

About N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide

N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 157313962) has the molecular formula C93H94F5N17O8S4 and a molecular weight of 1801.14 g/mol. Its IUPAC name is N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide
• PubChem CID: 157313962
• Molecular Formula: C93H94F5N17O8S4
• Molecular Weight: 1801.14 g/mol
• Exact Mass: 1799.63
• IUPAC Name: N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide
• SMILES: CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1F.Cc1cc(-n2nc(C)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)n(-c2ccc(N)c3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3cc(F)ccc23)n1
• InChI: InChI=1S/C24H26N4O2S.C23H21F3N4O2S.C23H24FN5O2S.C23H23FN4O2S/c1-16-14-22(20-8-6-7-9-21(20)25-16)28-23(15-17(2)26-28)27-31(29,30)19-12-10-18(11-13-19)24(3,4)5;1-23(2,3)16-10-9-14(12-17(16)24)33(31,32)29-21-13-19(22(25)26)28-30(21)20-8-4-7-18-15(20)6-5-11-27-18;1-14-12-21(28-32(30,31)15-7-8-17(18(24)13-15)23(2,3)4)29(27-14)20-10-9-19(25)22-16(20)6-5-11-26-22;1-15-13-22(27-31(29,30)18-8-5-16(6-9-18)23(2,3)4)28(26-15)21-11-12-25-20-14-17(24)7-10-19(20)21/h6-15,27H,1-5H3;4-13,22,29H,1-3H3;5-13,28H,25H2,1-4H3;5-14,27H,1-4H3
• InChIKey: BDJFYIJRMNEVLL-UHFFFAOYSA-N
• XLogP: 20.25
• TPSA: 333.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1801.14
LogP ≤ 5	20.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide?

The IUPAC name of N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide (CID 157313962) is N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide.

What is the SMILES notation for N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide?

The canonical SMILES for N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1F.Cc1cc(-n2nc(C)cc2NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)n(-c2ccc(N)c3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3cc(F)ccc23)n1.

What is the InChIKey of N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide?

The InChIKey is BDJFYIJRMNEVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S.C23H21F3N4O2S.C23H24FN5O2S.C23H23FN4O2S/c1-16-14-22(20-8-6-7-9-21(20)25-16)28-23(15-17(2)26-28)27-31(29,30)19-12-10-18(11-13-19)24(3,4)5;1-23(2,3)16-10-9-14(12-17(16)24)33(31,32)29-21-13-19(22(25)26)28-30(21)20-8-4-7-18-15(20)6-5-11-27-18;1-14-12-21(28-32(30,31)15-7-8-17(18(24)13-15)23(2,3)4)29(27-14)20-10-9-19(25)22-16(20)6-5-11-26-22;1-15-13-22(27-31(29,30)18-8-5-16(6-9-18)23(2,3)4)28(26-15)21-11-12-25-20-14-17(24)7-10-19(20)21/h6-15,27H,1-5H3;4-13,22,29H,1-3H3;5-13,28H,25H2,1-4H3;5-14,27H,1-4H3.

What are the key properties of N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide?

N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 1801.14 g/mol, XLogP of 20.25, 17 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-N-[2-(7-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(2-methylquinolin-4-yl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 157313962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).