4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide

C91H88F6N16O10S4 — CID 160582297

IUPAC4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3cnccc23)cc1.COc1ccc(-n2nc(C)cc2NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)c2cccnc12.Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n(-c2cccc3cnccc23)n1
InChIInChI=1S/C24H25FN4O3S.C23H22F2N4O2S.C22H19F3N4O2S.C22H22N4O3S/c1-15-13-22(28-33(30,31)16-8-9-18(19(25)14-16)24(2,3)4)29(27-15)20-10-11-21(32-5)23-17(20)7-6-12-26-23;1-23(2,3)15-9-11-16(12-10-15)32(30,31)28-21-14-19(22(24)25)27-29(21)20-8-4-7-18-17(20)6-5-13-26-18;1-14(2)15-6-8-17(9-7-15)32(30,31)28-21-12-20(22(23,24)25)27-29(21)19-5-3-4-16-13-26-11-10-18(16)19;1-15(2)29-18-7-9-19(10-8-18)30(27,28)25-22-13-16(3)24-26(22)21-6-4-5-17-14-23-12-11-20(17)21/h6-14,28H,1-5H3;4-14,22,28H,1-3H3;3-14,28H,1-2H3;4-15,25H,1-3H3
InChIKeyRBYAUJQBGLIZFU-UHFFFAOYSA-N
MW1808.06 g/mol
LogP20.11
Rot. Bonds21

About 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide

4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide (PubChem CID 160582297) has the molecular formula C91H88F6N16O10S4 and a molecular weight of 1808.06 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide
PubChem CID160582297
Molecular FormulaC91H88F6N16O10S4
Molecular Weight1808.06 g/mol
Exact Mass1806.57
IUPAC Name4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3cnccc23)cc1.COc1ccc(-n2nc(C)cc2NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)c2cccnc12.Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n(-c2cccc3cnccc23)n1
InChIInChI=1S/C24H25FN4O3S.C23H22F2N4O2S.C22H19F3N4O2S.C22H22N4O3S/c1-15-13-22(28-33(30,31)16-8-9-18(19(25)14-16)24(2,3)4)29(27-15)20-10-11-21(32-5)23-17(20)7-6-12-26-23;1-23(2,3)15-9-11-16(12-10-15)32(30,31)28-21-14-19(22(24)25)27-29(21)20-8-4-7-18-17(20)6-5-13-26-18;1-14(2)15-6-8-17(9-7-15)32(30,31)28-21-12-20(22(23,24)25)27-29(21)19-5-3-4-16-13-26-11-10-18(16)19;1-15(2)29-18-7-9-19(10-8-18)30(27,28)25-22-13-16(3)24-26(22)21-6-4-5-17-14-23-12-11-20(17)21/h6-14,28H,1-5H3;4-14,22,28H,1-3H3;3-14,28H,1-2H3;4-15,25H,1-3H3
InChIKeyRBYAUJQBGLIZFU-UHFFFAOYSA-N
XLogP20.11
TPSA325.98 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds21
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001808.06
LogP ≤ 520.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide (CID 160582297) is 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3cnccc23)cc1.COc1ccc(-n2nc(C)cc2NS(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)c2cccnc12.Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)cc2)n(-c2cccc3cnccc23)n1.
What is the InChIKey of 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide?
The InChIKey is RBYAUJQBGLIZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O3S.C23H22F2N4O2S.C22H19F3N4O2S.C22H22N4O3S/c1-15-13-22(28-33(30,31)16-8-9-18(19(25)14-16)24(2,3)4)29(27-15)20-10-11-21(32-5)23-17(20)7-6-12-26-23;1-23(2,3)15-9-11-16(12-10-15)32(30,31)28-21-14-19(22(24)25)27-29(21)20-8-4-7-18-17(20)6-5-13-26-18;1-14(2)15-6-8-17(9-7-15)32(30,31)28-21-12-20(22(23,24)25)27-29(21)19-5-3-4-16-13-26-11-10-18(16)19;1-15(2)29-18-7-9-19(10-8-18)30(27,28)25-22-13-16(3)24-26(22)21-6-4-5-17-14-23-12-11-20(17)21/h6-14,28H,1-5H3;4-14,22,28H,1-3H3;3-14,28H,1-2H3;4-15,25H,1-3H3.
What are the key properties of 4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide?
4-tert-butyl-N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide has a molecular weight of 1808.06 g/mol, XLogP of 20.11, 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-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-3-fluoro-N-[2-(8-methoxyquinolin-5-yl)-5-methylpyrazol-3-yl]benzenesulfonamide;N-(2-isoquinolin-5-yl-5-methylpyrazol-3-yl)-4-propan-2-yloxybenzenesulfonamide;N-[1-isoquinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 160582297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).