4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide

C94H93ClF4N16O10S4 — CID 158026361

About 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide

4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide (PubChem CID 158026361) has the molecular formula C94H93ClF4N16O10S4 and a molecular weight of 1846.59 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide.

Molecular Properties

• Compound Name: 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide
• PubChem CID: 158026361
• Molecular Formula: C94H93ClF4N16O10S4
• Molecular Weight: 1846.59 g/mol
• Exact Mass: 1844.58
• IUPAC Name: 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide
• SMILES: CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(C)(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)c1ccc(S(=O)(=O)Nc2cc(C(C)(F)F)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)n(-c2cccc3ncccc23)n1.Cc1cnc2c(Cl)ccc(-n3nc(C)cc3NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2c1
• InChI: InChI=1S/C24H25ClN4O2S.C24H24N4O3S.C23H22F2N4O3S.C23H22F2N4O2S/c1-15-12-19-21(11-10-20(25)23(19)26-14-15)29-22(13-16(2)27-29)28-32(30,31)18-8-6-17(7-9-18)24(3,4)5;1-16-14-23(28(26-16)21-8-4-7-20-19(21)6-5-13-25-20)27-32(29,30)18-9-10-22-17(15-18)11-12-24(2,3)31-22;1-15(2)32-16-9-11-17(12-10-16)33(30,31)28-22-14-21(23(3,24)25)27-29(22)20-8-4-7-19-18(20)6-5-13-26-19;1-15(2)16-9-11-17(12-10-16)32(30,31)28-22-14-21(23(3,24)25)27-29(22)20-8-4-7-19-18(20)6-5-13-26-19/h6-14,28H,1-5H3;4-10,13-15,27H,11-12H2,1-3H3;4-15,28H,1-3H3;4-15,28H,1-3H3
• InChIKey: FGQPAUSRTUUZSG-UHFFFAOYSA-N
• XLogP: 21.00
• TPSA: 325.98 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1846.59
LogP ≤ 5	21.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide?

The IUPAC name of 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide (CID 158026361) is 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide.

What is the SMILES notation for 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide?

The canonical SMILES for 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(C)(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)c1ccc(S(=O)(=O)Nc2cc(C(C)(F)F)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC(C)(C)O3)n(-c2cccc3ncccc23)n1.Cc1cnc2c(Cl)ccc(-n3nc(C)cc3NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2c1.

What is the InChIKey of 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide?

The InChIKey is FGQPAUSRTUUZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2S.C24H24N4O3S.C23H22F2N4O3S.C23H22F2N4O2S/c1-15-12-19-21(11-10-20(25)23(19)26-14-15)29-22(13-16(2)27-29)28-32(30,31)18-8-6-17(7-9-18)24(3,4)5;1-16-14-23(28(26-16)21-8-4-7-20-19(21)6-5-13-25-20)27-32(29,30)18-9-10-22-17(15-18)11-12-24(2,3)31-22;1-15(2)32-16-9-11-17(12-10-16)33(30,31)28-22-14-21(23(3,24)25)27-29(22)20-8-4-7-19-18(20)6-5-13-26-19;1-15(2)16-9-11-17(12-10-16)32(30,31)28-22-14-21(23(3,24)25)27-29(22)20-8-4-7-19-18(20)6-5-13-26-19/h6-14,28H,1-5H3;4-10,13-15,27H,11-12H2,1-3H3;4-15,28H,1-3H3;4-15,28H,1-3H3.

What are the key properties of 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide?

4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide has a molecular weight of 1846.59 g/mol, XLogP of 21.00, 21 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-N-[2-(8-chloro-3-methylquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-yloxybenzenesulfonamide;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3,4-dihydrochromene-6-sulfonamide is sourced from PubChem (CID 158026361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).