4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide

C89H85F6N17O10S4 — CID 157485285

IUPAC4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2nccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(C2=NCC(=O)c3ccccc32)n1
InChIInChI=1S/C23H24N4O3S.C22H19F3N4O3S.C22H19F3N4O2S.C22H23N5O2S/c1-15-13-21(26-31(29,30)17-11-9-16(10-12-17)23(2,3)4)27(25-15)22-19-8-6-5-7-18(19)20(28)14-24-22;1-14(2)32-15-8-10-16(11-9-15)33(30,31)28-21-13-20(22(23,24)25)27-29(21)19-7-3-6-18-17(19)5-4-12-26-18;1-14(2)15-8-10-16(11-9-15)32(30,31)28-21-13-20(22(23,24)25)27-29(21)19-7-3-6-18-17(19)5-4-12-26-18;1-15-14-20(26-30(28,29)17-9-7-16(8-10-17)22(2,3)4)27(25-15)21-18-6-5-12-23-19(18)11-13-24-21/h5-13,26H,14H2,1-4H3;3-14,28H,1-2H3;3-14,28H,1-2H3;5-14,26H,1-4H3
InChIKeyBWQINWRQRBJHBV-UHFFFAOYSA-N
MW1795.02 g/mol
LogP18.39
Rot. Bonds18

About 4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide

4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 157485285) has the molecular formula C89H85F6N17O10S4 and a molecular weight of 1795.02 g/mol. Its IUPAC name is 4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID157485285
Molecular FormulaC89H85F6N17O10S4
Molecular Weight1795.02 g/mol
Exact Mass1793.55
IUPAC Name4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide
SMILESCC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2nccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(C2=NCC(=O)c3ccccc32)n1
InChIInChI=1S/C23H24N4O3S.C22H19F3N4O3S.C22H19F3N4O2S.C22H23N5O2S/c1-15-13-21(26-31(29,30)17-11-9-16(10-12-17)23(2,3)4)27(25-15)22-19-8-6-5-7-18(19)20(28)14-24-22;1-14(2)32-15-8-10-16(11-9-15)33(30,31)28-21-13-20(22(23,24)25)27-29(21)19-7-3-6-18-17(19)5-4-12-26-18;1-14(2)15-8-10-16(11-9-15)32(30,31)28-21-13-20(22(23,24)25)27-29(21)19-7-3-6-18-17(19)5-4-12-26-18;1-15-14-20(26-30(28,29)17-9-7-16(8-10-17)22(2,3)4)27(25-15)21-18-6-5-12-23-19(18)11-13-24-21/h5-13,26H,14H2,1-4H3;3-14,28H,1-2H3;3-14,28H,1-2H3;5-14,26H,1-4H3
InChIKeyBWQINWRQRBJHBV-UHFFFAOYSA-N
XLogP18.39
TPSA346.18 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001795.02
LogP ≤ 518.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze 4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-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-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide (CID 157485285) is 4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.CC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)nn2-c2cccc3ncccc23)cc1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2nccc3ncccc23)n1.Cc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(C2=NCC(=O)c3ccccc32)n1.
What is the InChIKey of 4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is BWQINWRQRBJHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S.C22H19F3N4O3S.C22H19F3N4O2S.C22H23N5O2S/c1-15-13-21(26-31(29,30)17-11-9-16(10-12-17)23(2,3)4)27(25-15)22-19-8-6-5-7-18(19)20(28)14-24-22;1-14(2)32-15-8-10-16(11-9-15)33(30,31)28-21-13-20(22(23,24)25)27-29(21)19-7-3-6-18-17(19)5-4-12-26-18;1-14(2)15-8-10-16(11-9-15)32(30,31)28-21-13-20(22(23,24)25)27-29(21)19-7-3-6-18-17(19)5-4-12-26-18;1-15-14-20(26-30(28,29)17-9-7-16(8-10-17)22(2,3)4)27(25-15)21-18-6-5-12-23-19(18)11-13-24-21/h5-13,26H,14H2,1-4H3;3-14,28H,1-2H3;3-14,28H,1-2H3;5-14,26H,1-4H3.
What are the key properties of 4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide?
4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide has a molecular weight of 1795.02 g/mol, XLogP of 18.39, 18 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[5-methyl-2-(1,6-naphthyridin-5-yl)pyrazol-3-yl]benzenesulfonamide;4-tert-butyl-N-[5-methyl-2-(4-oxo-3H-isoquinolin-1-yl)pyrazol-3-yl]benzenesulfonamide;4-propan-2-yloxy-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide;4-propan-2-yl-N-[1-quinolin-5-yl-3-(trifluoromethyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 157485285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).