methane;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

C96H124ClN5O24S3Si — CID 157208750

IUPACmethane;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
SMILESC.C.C.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
InChIInChI=1S/C22H25NO6S.C21H23NO6S.C15H19NO3.C10H11NO2.C10H9NO2.C8H18O2Si.C7H7ClO3S.3CH4/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;3*1H4
InChIKeyARQNTROQBKUSLP-UHFFFAOYSA-N
MW1891.80 g/mol
LogP20.03
Rot. Bonds27

About methane;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

methane;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 157208750) has the molecular formula C96H124ClN5O24S3Si and a molecular weight of 1891.80 g/mol. Its IUPAC name is methane;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 Namemethane;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 CID157208750
Molecular FormulaC96H124ClN5O24S3Si
Molecular Weight1891.80 g/mol
Exact Mass1889.73
IUPAC Namemethane;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
SMILESC.C.C.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
InChIInChI=1S/C22H25NO6S.C21H23NO6S.C15H19NO3.C10H11NO2.C10H9NO2.C8H18O2Si.C7H7ClO3S.3CH4/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;3*1H4
InChIKeyARQNTROQBKUSLP-UHFFFAOYSA-N
XLogP20.03
TPSA379.15 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds27
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001891.80
LogP ≤ 520.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

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'}

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Related Compounds

ethyl 2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylate;ethyl 3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoate;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;2-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]cyclopropane-1-carboxylic acid
CID 158071786
CID 158476025
CID 158476025
dilithium;3-(5-methoxy-1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(5-methoxy-1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;methyl 3-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate;tributyl-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide
CID 159261687
lithium;bis(dichloromethane);(5-hydroxy-1H-indol-3-yl)-(1H-indol-3-yl)methanone;1H-indol-3-yl-(5-methoxy-1H-indol-3-yl)methanone;3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole;methane;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanol;[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-[1-(4-methylphenyl)sulfonylindol-3-yl]methanone;tribromoborane;hydroxide
CID 159543283
4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;tris(5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde);propanedioic acid
CID 159696311
CID 159820265
CID 159820265
4-hydroxy-4-(5-hydroxy-1H-indol-3-yl)-2-oxobut-3-enoic acid;4-hydroxy-4-(5-hydroxy-1-methylindol-3-yl)-2-oxobut-3-enoic acid;4-hydroxy-4-[5-(methoxymethoxy)-1-methylindol-3-yl]-2-oxobut-3-enoic acid;1-[5-(methoxymethoxy)-1-methylindol-3-yl]ethanone;methyl 4-hydroxy-4-[5-(methoxymethoxy)-1-methylindol-3-yl]-2-oxobut-3-enoate
CID 160357241
5-bromothiophene-2-sulfonyl chloride;ethyl 3-[1-(5-bromothiophen-2-yl)sulfonyl-5-methoxyindol-3-yl]propanoate;ethyl 3-(5-methoxy-1H-indol-3-yl)propanoate;ethyl (E)-3-(5-methoxy-1H-indol-3-yl)prop-2-enoate;ethyl 3-[5-methoxy-1-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylindol-3-yl]propanoate;5-methoxy-1H-indole-3-carbaldehyde;3-[5-methoxy-1-[5-(4-methoxyphenyl)thiophen-2-yl]sulfonylindol-3-yl]propanoic acid;(4-methoxyphenyl)boronic acid
CID 160392086
4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoic acid;(E)-3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoic acid;propanedioic acid
CID 160406817
2,3-dimethylbut-2-ene;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;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 161271521
methane;4-methoxybenzenesulfonyl chloride;5-methoxy-1H-indole-3-carbaldehyde;5-methoxy-1-(4-methoxyphenyl)sulfonylindole-3-carbaldehyde;3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]propanoic acid;(E)-3-[5-methoxy-1-(4-methoxyphenyl)sulfonylindol-3-yl]prop-2-enoic acid;propanedioic acid
CID 161457057
CID 161551824
CID 161551824

Frequently Asked Questions

What is the IUPAC name of methane;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 methane;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 157208750) is methane;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 methane;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 methane;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 C.C.C.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 methane;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 ARQNTROQBKUSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6S.C21H23NO6S.C15H19NO3.C10H11NO2.C10H9NO2.C8H18O2Si.C7H7ClO3S.3CH4/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;3*1H4.
What are the key properties of methane;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?
methane;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 1891.80 g/mol, XLogP of 20.03, 27 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for methane;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 157208750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).