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

C92H90ClF5N16O8S4 — CID 157089272

IUPAC4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1F.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3c(F)cccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ncc(Cl)c3ccccc23)n1
InChIInChI=1S/C23H23ClN4O2S.C23H21F3N4O2S.2C23H23FN4O2S/c1-15-13-21(27-31(29,30)17-11-9-16(10-12-17)23(2,3)4)28(26-15)22-19-8-6-5-7-18(19)20(24)14-25-22;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;1-15-13-22(28(26-15)21-9-5-8-20-17(21)7-6-12-25-20)27-31(29,30)16-10-11-18(19(24)14-16)23(2,3)4;1-15-14-21(27-31(29,30)17-10-8-16(9-11-17)23(2,3)4)28(26-15)20-12-13-25-22-18(20)6-5-7-19(22)24/h5-14,27H,1-4H3;4-13,22,29H,1-3H3;2*5-14,27H,1-4H3
InChIKeyAELVBSMPJOVLCX-UHFFFAOYSA-N
MW1806.55 g/mol
LogP21.01
Rot. Bonds17

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

4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide (PubChem CID 157089272) has the molecular formula C92H90ClF5N16O8S4 and a molecular weight of 1806.55 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide
PubChem CID157089272
Molecular FormulaC92H90ClF5N16O8S4
Molecular Weight1806.55 g/mol
Exact Mass1804.56
IUPAC Name4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1F.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3c(F)cccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ncc(Cl)c3ccccc23)n1
InChIInChI=1S/C23H23ClN4O2S.C23H21F3N4O2S.2C23H23FN4O2S/c1-15-13-21(27-31(29,30)17-11-9-16(10-12-17)23(2,3)4)28(26-15)22-19-8-6-5-7-18(19)20(24)14-25-22;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;1-15-13-22(28(26-15)21-9-5-8-20-17(21)7-6-12-25-20)27-31(29,30)16-10-11-18(19(24)14-16)23(2,3)4;1-15-14-21(27-31(29,30)17-10-8-16(9-11-17)23(2,3)4)28(26-15)20-12-13-25-22-18(20)6-5-7-19(22)24/h5-14,27H,1-4H3;4-13,22,29H,1-3H3;2*5-14,27H,1-4H3
InChIKeyAELVBSMPJOVLCX-UHFFFAOYSA-N
XLogP21.01
TPSA307.52 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001806.55
LogP ≤ 521.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide (CID 157089272) is 4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1F.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccnc3c(F)cccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ncc(Cl)c3ccccc23)n1.
What is the InChIKey of 4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
The InChIKey is AELVBSMPJOVLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2S.C23H21F3N4O2S.2C23H23FN4O2S/c1-15-13-21(27-31(29,30)17-11-9-16(10-12-17)23(2,3)4)28(26-15)22-19-8-6-5-7-18(19)20(24)14-25-22;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;1-15-13-22(28(26-15)21-9-5-8-20-17(21)7-6-12-25-20)27-31(29,30)16-10-11-18(19(24)14-16)23(2,3)4;1-15-14-21(27-31(29,30)17-10-8-16(9-11-17)23(2,3)4)28(26-15)20-12-13-25-22-18(20)6-5-7-19(22)24/h5-14,27H,1-4H3;4-13,22,29H,1-3H3;2*5-14,27H,1-4H3.
What are the key properties of 4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide?
4-tert-butyl-N-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide has a molecular weight of 1806.55 g/mol, XLogP of 21.01, 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-[2-(4-chloroisoquinolin-1-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-3-fluorobenzenesulfonamide;4-tert-butyl-3-fluoro-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;4-tert-butyl-N-[2-(8-fluoroquinolin-4-yl)-5-methylpyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 157089272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).