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

C128H143BrCl5N19O19S6 — CID 161332033

About 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

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 (PubChem CID 161332033) has the molecular formula C128H143BrCl5N19O19S6 and a molecular weight of 2701.24 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161332033
• Molecular Formula: C128H143BrCl5N19O19S6
• Molecular Weight: 2701.24 g/mol
• Exact Mass: 2695.68
• IUPAC Name: 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
• SMILES: CCc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1Cl.COc1cc(Br)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C.COc1cc(C(C)=O)c(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C.COc1cc(C)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C.COc1cc(Cl)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C.[C-]#[N+]c1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1C
• InChI: InChI=1S/C23H27N3O4S.C22H26ClN3O3S.C22H24N4O3S.C21H24ClN3O3S.C20H21BrClN3O3S.C20H21Cl2N3O3S/c1-14-12-20(21(30-7)13-19(14)16(3)27)26-15(2)22(24-25-26)31(28,29)18-10-8-17(9-11-18)23(4,5)6;1-7-15-12-20(29-6)19(13-18(15)23)26-14(2)21(24-25-26)30(27,28)17-10-8-16(9-11-17)22(3,4)5;1-14-12-19(20(29-7)13-18(14)23-6)26-15(2)21(24-25-26)30(27,28)17-10-8-16(9-11-17)22(3,4)5;1-13-11-19(28-6)18(12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5;1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-11-16(22)15(21)10-18(17)28-5;1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-10-15(21)16(22)11-18(17)28-5/h8-13H,1-7H3;8-13H,7H2,1-6H3;8-13H,1-5,7H3;7-12H,1-6H3;2*6-11H,1-5H3
• InChIKey: VLNVDGJHSQSWQQ-UHFFFAOYSA-N
• XLogP: 28.56
• TPSA: 465.91 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2701.24
LogP ≤ 5	28.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCc1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1Cl.COc1cc(Br)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C.COc1cc(C(C)=O)c(C)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C.COc1cc(C)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C.COc1cc(Cl)c(Cl)cc1-n1nnc(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C.[C-]#[N+]c1cc(OC)c(-n2nnc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1C.

What is the InChIKey of 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?

The InChIKey is VLNVDGJHSQSWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S.C22H26ClN3O3S.C22H24N4O3S.C21H24ClN3O3S.C20H21BrClN3O3S.C20H21Cl2N3O3S/c1-14-12-20(21(30-7)13-19(14)16(3)27)26-15(2)22(24-25-26)31(28,29)18-10-8-17(9-11-18)23(4,5)6;1-7-15-12-20(29-6)19(13-18(15)23)26-14(2)21(24-25-26)30(27,28)17-10-8-16(9-11-17)22(3,4)5;1-14-12-19(20(29-7)13-18(14)23-6)26-15(2)21(24-25-26)30(27,28)17-10-8-16(9-11-17)22(3,4)5;1-13-11-19(28-6)18(12-17(13)22)25-14(2)20(23-24-25)29(26,27)16-9-7-15(8-10-16)21(3,4)5;1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-11-16(22)15(21)10-18(17)28-5;1-12-19(29(26,27)14-8-6-13(7-9-14)20(2,3)4)23-24-25(12)17-10-15(21)16(22)11-18(17)28-5/h8-13H,1-7H3;8-13H,7H2,1-6H3;8-13H,1-5,7H3;7-12H,1-6H3;2*6-11H,1-5H3.

What are the key properties of 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?

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 has a molecular weight of 2701.24 g/mol, XLogP of 28.56, 26 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161332033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).