4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide

C92H95FN18O10S4 — CID 159674767

IUPAC4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(CO)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3cnncc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3nccc(C)c23)n1.Cc1cc(NS(=O)(=O)c2ccc(N3CCOCC3)c(F)c2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H26N4O2S.C23H22FN5O3S.C23H24N4O3S.C22H23N5O2S/c1-16-13-14-25-20-7-6-8-21(23(16)20)28-22(15-17(2)26-28)27-31(29,30)19-11-9-18(10-12-19)24(3,4)5;1-16-14-23(29(26-16)21-6-2-5-20-18(21)4-3-9-25-20)27-33(30,31)17-7-8-22(19(24)15-17)28-10-12-32-13-11-28;1-23(2,3)16-9-11-18(12-10-16)31(29,30)26-22-14-17(15-28)25-27(22)21-8-4-7-20-19(21)6-5-13-24-20;1-15-12-21(26-30(28,29)18-10-8-17(9-11-18)22(2,3)4)27(25-15)20-7-5-6-16-13-23-24-14-19(16)20/h6-15,27H,1-5H3;2-9,14-15,27H,10-13H2,1H3;4-14,26,28H,15H2,1-3H3;5-14,26H,1-4H3
InChIKeyMULOLBZUNWVEEB-UHFFFAOYSA-N
MW1760.15 g/mol
LogP16.87
Rot. Bonds18

About 4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide

4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide (PubChem CID 159674767) has the molecular formula C92H95FN18O10S4 and a molecular weight of 1760.15 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide
PubChem CID159674767
Molecular FormulaC92H95FN18O10S4
Molecular Weight1760.15 g/mol
Exact Mass1758.63
IUPAC Name4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(CO)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3cnncc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3nccc(C)c23)n1.Cc1cc(NS(=O)(=O)c2ccc(N3CCOCC3)c(F)c2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H26N4O2S.C23H22FN5O3S.C23H24N4O3S.C22H23N5O2S/c1-16-13-14-25-20-7-6-8-21(23(16)20)28-22(15-17(2)26-28)27-31(29,30)19-11-9-18(10-12-19)24(3,4)5;1-16-14-23(29(26-16)21-6-2-5-20-18(21)4-3-9-25-20)27-33(30,31)17-7-8-22(19(24)15-17)28-10-12-32-13-11-28;1-23(2,3)16-9-11-18(12-10-16)31(29,30)26-22-14-17(15-28)25-27(22)21-8-4-7-20-19(21)6-5-13-24-20;1-15-12-21(26-30(28,29)18-10-8-17(9-11-18)22(2,3)4)27(25-15)20-7-5-6-16-13-23-24-14-19(16)20/h6-15,27H,1-5H3;2-9,14-15,27H,10-13H2,1H3;4-14,26,28H,15H2,1-3H3;5-14,26H,1-4H3
InChIKeyMULOLBZUNWVEEB-UHFFFAOYSA-N
XLogP16.87
TPSA353.11 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.15
LogP ≤ 516.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Analyze 4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide (CID 159674767) is 4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(CO)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3cnncc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3nccc(C)c23)n1.Cc1cc(NS(=O)(=O)c2ccc(N3CCOCC3)c(F)c2)n(-c2cccc3ncccc23)n1.
What is the InChIKey of 4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide?
The InChIKey is MULOLBZUNWVEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S.C23H22FN5O3S.C23H24N4O3S.C22H23N5O2S/c1-16-13-14-25-20-7-6-8-21(23(16)20)28-22(15-17(2)26-28)27-31(29,30)19-11-9-18(10-12-19)24(3,4)5;1-16-14-23(29(26-16)21-6-2-5-20-18(21)4-3-9-25-20)27-33(30,31)17-7-8-22(19(24)15-17)28-10-12-32-13-11-28;1-23(2,3)16-9-11-18(12-10-16)31(29,30)26-22-14-17(15-28)25-27(22)21-8-4-7-20-19(21)6-5-13-24-20;1-15-12-21(26-30(28,29)18-10-8-17(9-11-18)22(2,3)4)27(25-15)20-7-5-6-16-13-23-24-14-19(16)20/h6-15,27H,1-5H3;2-9,14-15,27H,10-13H2,1H3;4-14,26,28H,15H2,1-3H3;5-14,26H,1-4H3.
What are the key properties of 4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide?
4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide has a molecular weight of 1760.15 g/mol, XLogP of 16.87, 18 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(hydroxymethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-methylquinolin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-phthalazin-5-ylpyrazol-3-yl)benzenesulfonamide;3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 159674767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).