4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide

C94H93F5N16O9S4 — CID 162249312

IUPAC4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(C)(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C24H24F2N4O2S.C24H25N3O2S.C23H21F3N4O2S.C23H23N5O3S/c1-23(2,3)16-10-12-17(13-11-16)33(31,32)29-22-15-21(24(4,25)26)28-30(22)20-9-5-8-19-18(20)7-6-14-27-19;1-17-15-23(26-30(28,29)22-13-10-20(11-14-22)24(2,3)4)27(25-17)21-12-9-18-7-5-6-8-19(18)16-21;1-22(2,3)15-9-11-16(12-10-15)33(31,32)29-21-14-20(23(24,25)26)28-30(21)19-8-4-7-18-17(19)6-5-13-27-18;1-23(2,3)15-9-11-16(12-10-15)32(30,31)27-21-14-19(22(24)29)26-28(21)20-8-4-7-18-17(20)6-5-13-25-18/h5-15,29H,1-4H3;5-16,26H,1-4H3;4-14,29H,1-3H3;4-14,27H,1-3H3,(H2,24,29)
InChIKeyZXTQDUXAUFKIMR-UHFFFAOYSA-N
MW1814.14 g/mol
LogP20.22
Rot. Bonds18

About 4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide

4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 162249312) has the molecular formula C94H93F5N16O9S4 and a molecular weight of 1814.14 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID162249312
Molecular FormulaC94H93F5N16O9S4
Molecular Weight1814.14 g/mol
Exact Mass1812.61
IUPAC Name4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(C)(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C24H24F2N4O2S.C24H25N3O2S.C23H21F3N4O2S.C23H23N5O3S/c1-23(2,3)16-10-12-17(13-11-16)33(31,32)29-22-15-21(24(4,25)26)28-30(22)20-9-5-8-19-18(20)7-6-14-27-19;1-17-15-23(26-30(28,29)22-13-10-20(11-14-22)24(2,3)4)27(25-17)21-12-9-18-7-5-6-8-19(18)16-21;1-22(2,3)15-9-11-16(12-10-15)33(31,32)29-21-14-20(23(24,25)26)28-30(21)19-8-4-7-18-17(19)6-5-13-27-18;1-23(2,3)15-9-11-16(12-10-15)32(30,31)27-21-14-19(22(24)29)26-28(21)20-8-4-7-18-17(20)6-5-13-25-18/h5-15,29H,1-4H3;5-16,26H,1-4H3;4-14,29H,1-3H3;4-14,27H,1-3H3,(H2,24,29)
InChIKeyZXTQDUXAUFKIMR-UHFFFAOYSA-N
XLogP20.22
TPSA337.72 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001814.14
LogP ≤ 520.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (CID 162249312) is 4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(C)(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(N)=O)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc3ccccc3c2)n1.
What is the InChIKey of 4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is ZXTQDUXAUFKIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O2S.C24H25N3O2S.C23H21F3N4O2S.C23H23N5O3S/c1-23(2,3)16-10-12-17(13-11-16)33(31,32)29-22-15-21(24(4,25)26)28-30(22)20-9-5-8-19-18(20)7-6-14-27-19;1-17-15-23(26-30(28,29)22-13-10-20(11-14-22)24(2,3)4)27(25-17)21-12-9-18-7-5-6-8-19(18)16-21;1-22(2,3)15-9-11-16(12-10-15)33(31,32)29-21-14-20(23(24,25)26)28-30(21)19-8-4-7-18-17(19)6-5-13-27-18;1-23(2,3)15-9-11-16(12-10-15)32(30,31)27-21-14-19(22(24)29)26-28(21)20-8-4-7-18-17(20)6-5-13-25-18/h5-15,29H,1-4H3;5-16,26H,1-4H3;4-14,29H,1-3H3;4-14,27H,1-3H3,(H2,24,29).
What are the key properties of 4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 1814.14 g/mol, XLogP of 20.22, 18 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-(1,1-difluoroethyl)-1-quinolin-5-ylpyrazol-5-yl]benzenesulfonamide;4-tert-butyl-N-(5-methyl-2-naphthalen-2-ylpyrazol-3-yl)benzenesulfonamide;5-[(4-tert-butylphenyl)sulfonylamino]-1-quinolin-5-ylpyrazole-3-carboxamide;4-tert-butyl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 162249312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).