4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide

C94H89F6N15O9S4 — CID 158103191

IUPAC4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2-c2cccc3cccnc23)cc1.CC(C)(C)c1ccc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2-c2ncnc3ccccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC3(C)C)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H22F3N3O2S.C24H24N4O2S.C23H21F3N4O2S.C23H22N4O3S/c1-23(2,3)17-9-11-19(12-10-17)33(31,32)15-18-14-21(24(25,26)27)29-30(18)20-8-4-6-16-7-5-13-28-22(16)20;1-16-14-23(28(26-16)22-8-4-7-21-19(22)6-5-13-25-21)27-31(29,30)18-9-10-20-17(15-18)11-12-24(20,2)3;1-22(2,3)15-8-10-17(11-9-15)33(31,32)13-16-12-20(23(24,25)26)29-30(16)21-18-6-4-5-7-19(18)27-14-28-21;1-15-12-22(27(25-15)20-8-4-7-19-18(20)6-5-11-24-19)26-31(28,29)17-9-10-21-16(13-17)14-23(2,3)30-21/h4-14H,15H2,1-3H3;4-10,13-15,27H,11-12H2,1-3H3;4-12,14H,13H2,1-3H3;4-13,26H,14H2,1-3H3
InChIKeyFPNBZOZKSCPUNA-UHFFFAOYSA-N
MW1815.10 g/mol
LogP19.81
Rot. Bonds16

About 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide

4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide (PubChem CID 158103191) has the molecular formula C94H89F6N15O9S4 and a molecular weight of 1815.10 g/mol. Its IUPAC name is 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide.

Molecular Properties

Compound Name4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide
PubChem CID158103191
Molecular FormulaC94H89F6N15O9S4
Molecular Weight1815.10 g/mol
Exact Mass1813.58
IUPAC Name4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2-c2cccc3cccnc23)cc1.CC(C)(C)c1ccc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2-c2ncnc3ccccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC3(C)C)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H22F3N3O2S.C24H24N4O2S.C23H21F3N4O2S.C23H22N4O3S/c1-23(2,3)17-9-11-19(12-10-17)33(31,32)15-18-14-21(24(25,26)27)29-30(18)20-8-4-6-16-7-5-13-28-22(16)20;1-16-14-23(28(26-16)22-8-4-7-21-19(22)6-5-13-25-21)27-31(29,30)18-9-10-20-17(15-18)11-12-24(20,2)3;1-22(2,3)15-8-10-17(11-9-15)33(31,32)13-16-12-20(23(24,25)26)29-30(16)21-18-6-4-5-7-19(18)27-14-28-21;1-15-12-22(27(25-15)20-8-4-7-19-18(20)6-5-11-24-19)26-31(28,29)17-9-10-21-16(13-17)14-23(2,3)30-21/h4-14H,15H2,1-3H3;4-10,13-15,27H,11-12H2,1-3H3;4-12,14H,13H2,1-3H3;4-13,26H,14H2,1-3H3
InChIKeyFPNBZOZKSCPUNA-UHFFFAOYSA-N
XLogP19.81
TPSA305.58 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001815.10
LogP ≤ 519.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide?
The IUPAC name of 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide (CID 158103191) is 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide.
What is the SMILES notation for 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide?
The canonical SMILES for 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2-c2cccc3cccnc23)cc1.CC(C)(C)c1ccc(S(=O)(=O)Cc2cc(C(F)(F)F)nn2-c2ncnc3ccccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc3c(c2)CCC3(C)C)n(-c2cccc3ncccc23)n1.
What is the InChIKey of 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide?
The InChIKey is FPNBZOZKSCPUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2S.C24H24N4O2S.C23H21F3N4O2S.C23H22N4O3S/c1-23(2,3)17-9-11-19(12-10-17)33(31,32)15-18-14-21(24(25,26)27)29-30(18)20-8-4-6-16-7-5-13-28-22(16)20;1-16-14-23(28(26-16)22-8-4-7-21-19(22)6-5-13-25-21)27-31(29,30)18-9-10-20-17(15-18)11-12-24(20,2)3;1-22(2,3)15-8-10-17(11-9-15)33(31,32)13-16-12-20(23(24,25)26)29-30(16)21-18-6-4-5-7-19(18)27-14-28-21;1-15-12-22(27(25-15)20-8-4-7-19-18(20)6-5-11-24-19)26-31(28,29)17-9-10-21-16(13-17)14-23(2,3)30-21/h4-14H,15H2,1-3H3;4-10,13-15,27H,11-12H2,1-3H3;4-12,14H,13H2,1-3H3;4-13,26H,14H2,1-3H3.
What are the key properties of 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide?
4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide has a molecular weight of 1815.10 g/mol, XLogP of 19.81, 16 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinazoline;8-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-(trifluoromethyl)pyrazol-1-yl]quinoline;2,2-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-3H-1-benzofuran-5-sulfonamide;1,1-dimethyl-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-2,3-dihydroindene-5-sulfonamide is sourced from PubChem (CID 158103191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).