About 3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate
3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate (PubChem CID 91492657) has the molecular formula C142H179N33O13S4
and a molecular weight of 2684.48 g/mol. Its IUPAC name is 3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate.
Frequently Asked Questions
What is the IUPAC name of 3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate?
The IUPAC name of 3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate (CID 91492657) is 3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate.
What is the SMILES notation for 3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate?
The canonical SMILES for 3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate is CCCCCCCCCCC(Oc1ccc(S(=O)Oc2ccc(O)cc2)cc1)C(=O)Nc1cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)c1.Cc1ccc(C(C)(C)C)cc1OS(=O)Nc1cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)c1.Cc1ccc(C(C)(C)C)cc1OS(=O)Nc1cc(NC(=O)C(C)(C)C)cc(-c2nc3cc(C(C)(C)C)[nH]n3n2)c1.Cc1ccc(OCCCNS(=O)(=O)c2cc(-c3nc4cc(C(C)(C)C)[nH]n4n3)cc(-c3nc4cc(C(C)(C)C)[nH]n4n3)c2)c(C)c1.
What is the InChIKey of 3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate?
The InChIKey is LYHIYYPRNUPQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H57N9O5S.C33H41N9O3S.C33H41N9O2S.C30H40N6O3S/c1-8-9-10-11-12-13-14-15-16-37(59-34-21-23-36(24-22-34)61(58)60-35-19-17-33(56)18-20-35)44(57)47-32-26-30(42-48-40-28-38(45(2,3)4)50-54(40)52-42)25-31(27-32)43-49-41-29-39(46(5,6)7)51-55(41)53-43;1-20-10-11-25(21(2)14-20)45-13-9-12-34-46(43,44)24-16-22(30-35-28-18-26(32(3,4)5)37-41(28)39-30)15-23(17-24)31-36-29-19-27(33(6,7)8)38-42(29)40-31;1-19-11-12-22(31(2,3)4)16-24(19)44-45(43)40-23-14-20(29-34-27-17-25(32(5,6)7)36-41(27)38-29)13-21(15-23)30-35-28-18-26(33(8,9)10)37-42(28)39-30;1-18-11-12-20(28(2,3)4)15-23(18)39-40(38)35-22-14-19(13-21(16-22)31-27(37)30(8,9)10)26-32-25-17-24(29(5,6)7)33-36(25)34-26/h17-29,37,50-51,56H,8-16H2,1-7H3,(H,47,57);10-11,14-19,34,37-38H,9,12-13H2,1-8H3;11-18,36-37,40H,1-10H3;11-17,33,35H,1-10H3,(H,31,37).
What are the key properties of 3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate?
3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate has a molecular weight of 2684.48 g/mol, XLogP of 29.52, 39 rotatable bonds, 13 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)-N-[3-(2,4-dimethylphenoxy)propyl]benzenesulfonamide;6-tert-butyl-2-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-5H-pyrazolo[1,5-b][1,2,4]triazole;N-[3-[(5-tert-butyl-2-methylphenoxy)sulfinylamino]-5-(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)phenyl]-2,2-dimethylpropanamide;(4-hydroxyphenyl) 4-[1-[3,5-bis(6-tert-butyl-5H-pyrazolo[1,5-b][1,2,4]triazol-2-yl)anilino]-1-oxododecan-2-yl]oxybenzenesulfinate is sourced from PubChem (CID 91492657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).