N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

C88H83F5N16O9S4 — CID 161168610

IUPACN-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H26N4O2S.C22H20F2N4O2S.C22H22N4O2S.C20H15F3N4O3S/c1-5-24(3,4)18-11-13-19(14-12-18)31(29,30)27-23-16-17(2)26-28(23)22-10-6-9-21-20(22)8-7-15-25-21;1-14(2)15-8-10-16(11-9-15)31(29,30)27-21-13-19(22(23)24)26-28(21)20-7-3-6-18-17(20)5-4-12-25-18;1-15(2)17-9-11-18(12-10-17)29(27,28)25-22-14-16(3)24-26(22)21-8-4-7-20-19(21)6-5-13-23-20;1-13-12-19(27(25-13)18-6-2-5-17-16(18)4-3-11-24-17)26-31(28,29)15-9-7-14(8-10-15)30-20(21,22)23/h6-16,27H,5H2,1-4H3;3-14,22,27H,1-2H3;4-15,25H,1-3H3;2-12,26H,1H3
InChIKeyUQWPVCZUVBTKET-UHFFFAOYSA-N
MW1731.99 g/mol
LogP19.58
Rot. Bonds22

About N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide

N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 161168610) has the molecular formula C88H83F5N16O9S4 and a molecular weight of 1731.99 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID161168610
Molecular FormulaC88H83F5N16O9S4
Molecular Weight1731.99 g/mol
Exact Mass1730.53
IUPAC NameN-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H26N4O2S.C22H20F2N4O2S.C22H22N4O2S.C20H15F3N4O3S/c1-5-24(3,4)18-11-13-19(14-12-18)31(29,30)27-23-16-17(2)26-28(23)22-10-6-9-21-20(22)8-7-15-25-21;1-14(2)15-8-10-16(11-9-15)31(29,30)27-21-13-19(22(23)24)26-28(21)20-7-3-6-18-17(20)5-4-12-25-18;1-15(2)17-9-11-18(12-10-17)29(27,28)25-22-14-16(3)24-26(22)21-8-4-7-20-19(21)6-5-13-23-20;1-13-12-19(27(25-13)18-6-2-5-17-16(18)4-3-11-24-17)26-31(28,29)15-9-7-14(8-10-15)30-20(21,22)23/h6-16,27H,5H2,1-4H3;3-14,22,27H,1-2H3;4-15,25H,1-3H3;2-12,26H,1H3
InChIKeyUQWPVCZUVBTKET-UHFFFAOYSA-N
XLogP19.58
TPSA316.75 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001731.99
LogP ≤ 519.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide (CID 161168610) is N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is CC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)F)nn2-c2cccc3ncccc23)cc1.CCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)n(-c2cccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n(-c2cccc3ncccc23)n1.
What is the InChIKey of N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is UQWPVCZUVBTKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2S.C22H20F2N4O2S.C22H22N4O2S.C20H15F3N4O3S/c1-5-24(3,4)18-11-13-19(14-12-18)31(29,30)27-23-16-17(2)26-28(23)22-10-6-9-21-20(22)8-7-15-25-21;1-14(2)15-8-10-16(11-9-15)31(29,30)27-21-13-19(22(23)24)26-28(21)20-7-3-6-18-17(20)5-4-12-25-18;1-15(2)17-9-11-18(12-10-17)29(27,28)25-22-14-16(3)24-26(22)21-8-4-7-20-19(21)6-5-13-23-20;1-13-12-19(27(25-13)18-6-2-5-17-16(18)4-3-11-24-17)26-31(28,29)15-9-7-14(8-10-15)30-20(21,22)23/h6-16,27H,5H2,1-4H3;3-14,22,27H,1-2H3;4-15,25H,1-3H3;2-12,26H,1H3.
What are the key properties of N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide?
N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 1731.99 g/mol, XLogP of 19.58, 22 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-1-quinolin-5-ylpyrazol-5-yl]-4-propan-2-ylbenzenesulfonamide;4-(2-methylbutan-2-yl)-N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)benzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-propan-2-ylbenzenesulfonamide;N-(5-methyl-2-quinolin-5-ylpyrazol-3-yl)-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 161168610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).