4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide

C93H96F2N16O8S4 — CID 157202745

IUPAC4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc3cccnc3c2)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3ccc(F)cc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(Cc2cccc3ncccc23)n1.Cc1nn(-c2cccc3ncccc23)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1F
InChIInChI=1S/C24H26N4O2S.2C23H23FN4O2S.C23H24N4O2S/c1-17-15-23(27-31(29,30)20-12-10-19(11-13-20)24(2,3)4)28(26-17)16-18-7-5-9-22-21(18)8-6-14-25-22;1-15-13-22(27-31(29,30)18-8-5-16(6-9-18)23(2,3)4)28(26-15)21-11-12-25-20-10-7-17(24)14-19(20)21;1-15-21(24)22(27-31(29,30)17-12-10-16(11-13-17)23(2,3)4)28(26-15)20-9-5-8-19-18(20)7-6-14-25-19;1-16-14-22(26-30(28,29)20-11-8-18(9-12-20)23(2,3)4)27(25-16)19-10-7-17-6-5-13-24-21(17)15-19/h5-15,27H,16H2,1-4H3;2*5-14,27H,1-4H3;5-15,26H,1-4H3
InChIKeyAQZJBLVUEVEOKZ-UHFFFAOYSA-N
MW1732.16 g/mol
LogP19.65
Rot. Bonds17

About 4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide

4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide (PubChem CID 157202745) has the molecular formula C93H96F2N16O8S4 and a molecular weight of 1732.16 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide
PubChem CID157202745
Molecular FormulaC93H96F2N16O8S4
Molecular Weight1732.16 g/mol
Exact Mass1730.64
IUPAC Name4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc3cccnc3c2)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3ccc(F)cc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(Cc2cccc3ncccc23)n1.Cc1nn(-c2cccc3ncccc23)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1F
InChIInChI=1S/C24H26N4O2S.2C23H23FN4O2S.C23H24N4O2S/c1-17-15-23(27-31(29,30)20-12-10-19(11-13-20)24(2,3)4)28(26-17)16-18-7-5-9-22-21(18)8-6-14-25-22;1-15-13-22(27-31(29,30)18-8-5-16(6-9-18)23(2,3)4)28(26-15)21-11-12-25-20-10-7-17(24)14-19(20)21;1-15-21(24)22(27-31(29,30)17-12-10-16(11-13-17)23(2,3)4)28(26-15)20-9-5-8-19-18(20)7-6-14-25-19;1-16-14-22(26-30(28,29)20-11-8-18(9-12-20)23(2,3)4)27(25-16)19-10-7-17-6-5-13-24-21(17)15-19/h5-15,27H,16H2,1-4H3;2*5-14,27H,1-4H3;5-15,26H,1-4H3
InChIKeyAQZJBLVUEVEOKZ-UHFFFAOYSA-N
XLogP19.65
TPSA307.52 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001732.16
LogP ≤ 519.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide (CID 157202745) is 4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc3cccnc3c2)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3ccc(F)cc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(Cc2cccc3ncccc23)n1.Cc1nn(-c2cccc3ncccc23)c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1F.
What is the InChIKey of 4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is AQZJBLVUEVEOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S.2C23H23FN4O2S.C23H24N4O2S/c1-17-15-23(27-31(29,30)20-12-10-19(11-13-20)24(2,3)4)28(26-17)16-18-7-5-9-22-21(18)8-6-14-25-22;1-15-13-22(27-31(29,30)18-8-5-16(6-9-18)23(2,3)4)28(26-15)21-11-12-25-20-10-7-17(24)14-19(20)21;1-15-21(24)22(27-31(29,30)17-12-10-16(11-13-17)23(2,3)4)28(26-15)20-9-5-8-19-18(20)7-6-14-25-19;1-16-14-22(26-30(28,29)20-11-8-18(9-12-20)23(2,3)4)27(25-16)19-10-7-17-6-5-13-24-21(17)15-19/h5-15,27H,16H2,1-4H3;2*5-14,27H,1-4H3;5-15,26H,1-4H3.
What are the key properties of 4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide?
4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 1732.16 g/mol, XLogP of 19.65, 17 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-fluoro-3-methyl-1-quinolin-5-ylpyrazol-5-yl)benzenesulfonamide;4-tert-butyl-N-[2-(6-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(quinolin-5-ylmethyl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-quinolin-7-ylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 157202745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).