1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole

C132H159BrClFN18O24S6 — CID 160917351

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole
SMILESCCc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1OC.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1Br.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1C.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1C(C)C.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1Cl.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1F
InChIInChI=1S/C24H31N3O4S.C23H29N3O4S.C22H27N3O4S.C21H24BrN3O4S.C21H24ClN3O4S.C21H24FN3O4S/c1-15(2)19-13-22(31-8)20(14-21(19)30-7)27-16(3)23(25-26-27)32(28,29)18-11-9-17(10-12-18)24(4,5)6;1-8-16-13-21(30-7)19(14-20(16)29-6)26-15(2)22(24-25-26)31(27,28)18-11-9-17(10-12-18)23(3,4)5;1-14-12-20(29-7)18(13-19(14)28-6)25-15(2)21(23-24-25)30(26,27)17-10-8-16(9-11-17)22(3,4)5;3*1-13-20(30(26,27)15-9-7-14(8-10-15)21(2,3)4)23-24-25(13)17-12-18(28-5)16(22)11-19(17)29-6/h9-15H,1-8H3;9-14H,8H2,1-7H3;8-13H,1-7H3;3*7-12H,1-6H3
InChIKeySROQJEJOTMTGKL-UHFFFAOYSA-N
MW2708.58 g/mol
LogP25.89
Rot. Bonds32

About 1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole

1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole (PubChem CID 160917351) has the molecular formula C132H159BrClFN18O24S6 and a molecular weight of 2708.58 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole
PubChem CID160917351
Molecular FormulaC132H159BrClFN18O24S6
Molecular Weight2708.58 g/mol
Exact Mass2704.90
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole
SMILESCCc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1OC.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1Br.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1C.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1C(C)C.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1Cl.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1F
InChIInChI=1S/C24H31N3O4S.C23H29N3O4S.C22H27N3O4S.C21H24BrN3O4S.C21H24ClN3O4S.C21H24FN3O4S/c1-15(2)19-13-22(31-8)20(14-21(19)30-7)27-16(3)23(25-26-27)32(28,29)18-11-9-17(10-12-18)24(4,5)6;1-8-16-13-21(30-7)19(14-20(16)29-6)26-15(2)22(24-25-26)31(27,28)18-11-9-17(10-12-18)23(3,4)5;1-14-12-20(29-7)18(13-19(14)28-6)25-15(2)21(23-24-25)30(26,27)17-10-8-16(9-11-17)22(3,4)5;3*1-13-20(30(26,27)15-9-7-14(8-10-15)21(2,3)4)23-24-25(13)17-12-18(28-5)16(22)11-19(17)29-6/h9-15H,1-8H3;9-14H,8H2,1-7H3;8-13H,1-7H3;3*7-12H,1-6H3
InChIKeySROQJEJOTMTGKL-UHFFFAOYSA-N
XLogP25.89
TPSA499.86 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds32
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002708.58
LogP ≤ 525.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole with MolForge

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Related Compounds

4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-5-(chloromethyl)-1-(2,5-dimethoxyphenyl)triazole
CID 161011216
1-(4-bromo-5-chloro-2-methoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(5-chloro-4-ethyl-2-methoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(5-chloro-2-methoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4,5-dichloro-2-methoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-isocyano-2-methoxy-5-methylphenyl)-5-methyltriazole;1-[4-[4-(4-tert-butylphenyl)sulfonyl-5-methyltriazol-1-yl]-5-methoxy-2-methylphenyl]ethanone
CID 161332033
4-(4-tert-butylphenyl)sulfonyl-1-(5-fluoro-2-methoxyphenyl)-5-methyltriazole
CID 164621034
4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-prop-1-en-2-ylphenyl)-5-methyltriazole
CID 130472405
(1R)-1-[3-[4-(4-tert-butylphenyl)sulfonyl-5-methyltriazol-1-yl]-4-methoxyphenyl]ethanol
CID 164624492
4-(4-tert-butylphenyl)sulfonyl-5-methyl-1-(4-propan-2-ylphenyl)triazole
CID 20865727
1-(2-methoxy-5-methylphenyl)-5-methyl-4-(4-methylphenyl)sulfonyltriazole
CID 7245378
4-(4-tert-butyl-2-methylphenyl)sulfonyl-1-(2,5-dimethoxyphenyl)-5-methyltriazole
CID 160604411
5-(4-tert-butylphenyl)sulfonyl-3-(2,5-dimethoxyphenyl)-N,N-diethyltriazol-4-amine
CID 130472111
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
1-methoxy-4-methyl-5-propan-2-yl-2-[4-(trifluoromethyl)phenyl]sulfonylbenzene
CID 118627739
1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxylic acid
CID 82200947

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole (CID 160917351) is 1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole is CCc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1OC.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1Br.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1C.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1C(C)C.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1Cl.COc1cc(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)c(OC)cc1F.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole?
The InChIKey is SROQJEJOTMTGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4S.C23H29N3O4S.C22H27N3O4S.C21H24BrN3O4S.C21H24ClN3O4S.C21H24FN3O4S/c1-15(2)19-13-22(31-8)20(14-21(19)30-7)27-16(3)23(25-26-27)32(28,29)18-11-9-17(10-12-18)24(4,5)6;1-8-16-13-21(30-7)19(14-20(16)29-6)26-15(2)22(24-25-26)31(27,28)18-11-9-17(10-12-18)23(3,4)5;1-14-12-20(29-7)18(13-19(14)28-6)25-15(2)21(23-24-25)30(26,27)17-10-8-16(9-11-17)22(3,4)5;3*1-13-20(30(26,27)15-9-7-14(8-10-15)21(2,3)4)23-24-25(13)17-12-18(28-5)16(22)11-19(17)29-6/h9-15H,1-8H3;9-14H,8H2,1-7H3;8-13H,1-7H3;3*7-12H,1-6H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole?
1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole has a molecular weight of 2708.58 g/mol, XLogP of 25.89, 32 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)-4-(4-tert-butylphenyl)sulfonyl-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-chloro-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-methylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(2,5-dimethoxy-4-propan-2-ylphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-ethyl-2,5-dimethoxyphenyl)-5-methyltriazole;4-(4-tert-butylphenyl)sulfonyl-1-(4-fluoro-2,5-dimethoxyphenyl)-5-methyltriazole is sourced from PubChem (CID 160917351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).