N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide

C92H94F4N17O9S4+ — CID 161352546

IUPACN-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(CF)nn2-c2cccc3ncccc23)cc1F.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)n(-c2cccc3nc(N)ccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc(F)c3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3c2ccc[n+]3O)n1
InChIInChI=1S/C23H22F2N4O2S.C23H24FN5O2S.C23H23FN4O2S.C23H25N4O3S/c1-23(2,3)18-10-9-16(13-19(18)25)32(30,31)28-22-12-15(14-24)27-29(22)21-8-4-7-20-17(21)6-5-11-26-20;1-14-12-22(28-32(30,31)15-8-10-17(18(24)13-15)23(2,3)4)29(27-14)20-7-5-6-19-16(20)9-11-21(25)26-19;1-15-14-21(27-31(29,30)17-9-7-16(8-10-17)23(2,3)4)28(26-15)20-12-11-19(24)22-18(20)6-5-13-25-22;1-16-15-22(25-31(29,30)18-12-10-17(11-13-18)23(2,3)4)27(24-16)21-9-5-8-20-19(21)7-6-14-26(20)28/h4-13,28H,14H2,1-3H3;5-13,28H,1-4H3,(H2,25,26);5-14,27H,1-4H3;5-15,25,28H,1-4H3/q;;;+1
InChIKeyZRALHRSHMTUADV-UHFFFAOYSA-N
MW1786.13 g/mol
LogP18.60
Rot. Bonds17

About N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide

N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide (PubChem CID 161352546) has the molecular formula C92H94F4N17O9S4+ and a molecular weight of 1786.13 g/mol. Its IUPAC name is N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide
PubChem CID161352546
Molecular FormulaC92H94F4N17O9S4+
Molecular Weight1786.13 g/mol
Exact Mass1784.62
IUPAC NameN-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(CF)nn2-c2cccc3ncccc23)cc1F.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)n(-c2cccc3nc(N)ccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc(F)c3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3c2ccc[n+]3O)n1
InChIInChI=1S/C23H22F2N4O2S.C23H24FN5O2S.C23H23FN4O2S.C23H25N4O3S/c1-23(2,3)18-10-9-16(13-19(18)25)32(30,31)28-22-12-15(14-24)27-29(22)21-8-4-7-20-17(21)6-5-11-26-20;1-14-12-22(28-32(30,31)15-8-10-17(18(24)13-15)23(2,3)4)29(27-14)20-7-5-6-19-16(20)9-11-21(25)26-19;1-15-14-21(27-31(29,30)17-9-7-16(8-10-17)23(2,3)4)28(26-15)20-12-11-19(24)22-18(20)6-5-13-25-22;1-16-15-22(25-31(29,30)18-12-10-17(11-13-18)23(2,3)4)27(24-16)21-9-5-8-20-19(21)7-6-14-26(20)28/h4-13,28H,14H2,1-3H3;5-13,28H,1-4H3,(H2,25,26);5-14,27H,1-4H3;5-15,25,28H,1-4H3/q;;;+1
InChIKeyZRALHRSHMTUADV-UHFFFAOYSA-N
XLogP18.60
TPSA344.76 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds17
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001786.13
LogP ≤ 518.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide (CID 161352546) is N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(CF)nn2-c2cccc3ncccc23)cc1F.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)n(-c2cccc3nc(N)ccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc(F)c3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3c2ccc[n+]3O)n1.
What is the InChIKey of N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is ZRALHRSHMTUADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N4O2S.C23H24FN5O2S.C23H23FN4O2S.C23H25N4O3S/c1-23(2,3)18-10-9-16(13-19(18)25)32(30,31)28-22-12-15(14-24)27-29(22)21-8-4-7-20-17(21)6-5-11-26-20;1-14-12-22(28-32(30,31)15-8-10-17(18(24)13-15)23(2,3)4)29(27-14)20-7-5-6-19-16(20)9-11-21(25)26-19;1-15-14-21(27-31(29,30)17-9-7-16(8-10-17)23(2,3)4)28(26-15)20-12-11-19(24)22-18(20)6-5-13-25-22;1-16-15-22(25-31(29,30)18-12-10-17(11-13-18)23(2,3)4)27(24-16)21-9-5-8-20-19(21)7-6-14-26(20)28/h4-13,28H,14H2,1-3H3;5-13,28H,1-4H3,(H2,25,26);5-14,27H,1-4H3;5-15,25,28H,1-4H3/q;;;+1.
What are the key properties of N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 1786.13 g/mol, XLogP of 18.60, 17 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoquinolin-5-yl)-5-methylpyrazol-3-yl]-4-tert-butyl-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-[3-(fluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[2-(1-hydroxyquinolin-1-ium-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 161352546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).