4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate

C93H112ClN5O24S3Si — CID 162167781

About 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate

4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate (PubChem CID 162167781) has the molecular formula C93H112ClN5O24S3Si and a molecular weight of 1843.67 g/mol. Its IUPAC name is 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate
• PubChem CID: 162167781
• Molecular Formula: C93H112ClN5O24S3Si
• Molecular Weight: 1843.67 g/mol
• Exact Mass: 1841.63
• IUPAC Name: 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate
• SMILES: COC(=O)C(C)(C)Cc1c[nH]c2ccc(OC)cc12.COC(=O)C(C)(C)Cc1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc12.COC(O[Si](C)(C)C)=C(C)C.COc1ccc(S(=O)(=O)Cl)cc1.COc1ccc(S(=O)(=O)n2cc(CC(C)(C)C(=O)O)c3cc(OC)ccc32)cc1.COc1ccc2[nH]cc(C=O)c2c1.COc1ccc2[nH]cc(CO)c2c1
• InChI: InChI=1S/C22H25NO6S.C21H23NO6S.C15H19NO3.C10H11NO2.C10H9NO2.C8H18O2Si.C7H7ClO3S/c1-22(2,21(24)29-5)13-15-14-23(20-11-8-17(28-4)12-19(15)20)30(25,26)18-9-6-16(27-3)7-10-18;1-21(2,20(23)24)12-14-13-22(19-10-7-16(28-4)11-18(14)19)29(25,26)17-8-5-15(27-3)6-9-17;1-15(2,14(17)19-4)8-10-9-16-13-6-5-11(18-3)7-12(10)13;2*1-13-8-2-3-10-9(4-8)7(6-12)5-11-10;1-7(2)8(9-3)10-11(4,5)6;1-11-6-2-4-7(5-3-6)12(8,9)10/h6-12,14H,13H2,1-5H3;5-11,13H,12H2,1-4H3,(H,23,24);5-7,9,16H,8H2,1-4H3;2-5,11-12H,6H2,1H3;2-6,11H,1H3;1-6H3;2-5H,1H3
• InChIKey: ZNJFFLJEGRMFKO-UHFFFAOYSA-N
• XLogP: 18.12
• TPSA: 379.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1843.67
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate?

The IUPAC name of 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate (CID 162167781) is 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate.

What is the SMILES notation for 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate?

The canonical SMILES for 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate is COC(=O)C(C)(C)Cc1c[nH]c2ccc(OC)cc12.COC(=O)C(C)(C)Cc1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc12.COC(O[Si](C)(C)C)=C(C)C.COc1ccc(S(=O)(=O)Cl)cc1.COc1ccc(S(=O)(=O)n2cc(CC(C)(C)C(=O)O)c3cc(OC)ccc32)cc1.COc1ccc2[nH]cc(C=O)c2c1.COc1ccc2[nH]cc(CO)c2c1.

What is the InChIKey of 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate?

The InChIKey is ZNJFFLJEGRMFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6S.C21H23NO6S.C15H19NO3.C10H11NO2.C10H9NO2.C8H18O2Si.C7H7ClO3S/c1-22(2,21(24)29-5)13-15-14-23(20-11-8-17(28-4)12-19(15)20)30(25,26)18-9-6-16(27-3)7-10-18;1-21(2,20(23)24)12-14-13-22(19-10-7-16(28-4)11-18(14)19)29(25,26)17-8-5-15(27-3)6-9-17;1-15(2,14(17)19-4)8-10-9-16-13-6-5-11(18-3)7-12(10)13;2*1-13-8-2-3-10-9(4-8)7(6-12)5-11-10;1-7(2)8(9-3)10-11(4,5)6;1-11-6-2-4-7(5-3-6)12(8,9)10/h6-12,14H,13H2,1-5H3;5-11,13H,12H2,1-4H3,(H,23,24);5-7,9,16H,8H2,1-4H3;2-5,11-12H,6H2,1H3;2-6,11H,1H3;1-6H3;2-5H,1H3.

What are the key properties of 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate?

4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate has a molecular weight of 1843.67 g/mol, XLogP of 18.12, 27 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;(5-methoxy-1H-indol-3-yl)methanol;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoic acid;(1-methoxy-2-methylprop-1-enoxy)-trimethylsilane;methyl 3-(5-methoxy-1H-indol-3-yl)-2,2-dimethylpropanoate;methyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]-2,2-dimethylpropanoate is sourced from PubChem (CID 162167781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).