1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate

C145H138N8O21S6Si2 — CID 158000951

IUPAC1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate
SMILESCC(C)(C)[Si](C)(C)OCC(c1ccccc1)c1ccc2c(c1)cc(C#N)n2S(=O)(=O)c1ccccc1.CC(C)(C)[Si](C)(C)OCC(c1ccccc1)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.COC(=O)/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.COC(=O)CC(c1ccccc1)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.O=Cc1ccc2[nH]ccc2c1.O=Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.O=S(=O)(c1ccccc1)n1ccc2cc(C(CO)c3ccccc3)ccc21
InChIInChI=1S/C29H32N2O3SSi.C28H33NO3SSi.C24H21NO4S.C22H19NO3S.C18H15NO4S.C15H11NO3S.C9H7NO/c1-29(2,3)36(4,5)34-21-27(22-12-8-6-9-13-22)23-16-17-28-24(18-23)19-25(20-30)31(28)35(32,33)26-14-10-7-11-15-26;1-28(2,3)34(4,5)32-21-26(22-12-8-6-9-13-22)23-16-17-27-24(20-23)18-19-29(27)33(30,31)25-14-10-7-11-15-25;1-29-24(26)17-22(18-8-4-2-5-9-18)19-12-13-23-20(16-19)14-15-25(23)30(27,28)21-10-6-3-7-11-21;24-16-21(17-7-3-1-4-8-17)18-11-12-22-19(15-18)13-14-23(22)27(25,26)20-9-5-2-6-10-20;1-23-18(20)10-8-14-7-9-17-15(13-14)11-12-19(17)24(21,22)16-5-3-2-4-6-16;17-11-12-6-7-15-13(10-12)8-9-16(15)20(18,19)14-4-2-1-3-5-14;11-6-7-1-2-9-8(5-7)3-4-10-9/h6-19,27H,21H2,1-5H3;6-20,26H,21H2,1-5H3;2-16,22H,17H2,1H3;1-15,21,24H,16H2;2-13H,1H3;1-11H;1-6,10H/b;;;;10-8+;;
InChIKeyFDSNXNUGQVICSI-PMMPMWOVSA-N
MW2577.31 g/mol
LogP30.25
Rot. Bonds33

About 1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate

1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate (PubChem CID 158000951) has the molecular formula C145H138N8O21S6Si2 and a molecular weight of 2577.31 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate
PubChem CID158000951
Molecular FormulaC145H138N8O21S6Si2
Molecular Weight2577.31 g/mol
Exact Mass2574.78
IUPAC Name1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate
SMILESCC(C)(C)[Si](C)(C)OCC(c1ccccc1)c1ccc2c(c1)cc(C#N)n2S(=O)(=O)c1ccccc1.CC(C)(C)[Si](C)(C)OCC(c1ccccc1)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.COC(=O)/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.COC(=O)CC(c1ccccc1)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.O=Cc1ccc2[nH]ccc2c1.O=Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.O=S(=O)(c1ccccc1)n1ccc2cc(C(CO)c3ccccc3)ccc21
InChIInChI=1S/C29H32N2O3SSi.C28H33NO3SSi.C24H21NO4S.C22H19NO3S.C18H15NO4S.C15H11NO3S.C9H7NO/c1-29(2,3)36(4,5)34-21-27(22-12-8-6-9-13-22)23-16-17-28-24(18-23)19-25(20-30)31(28)35(32,33)26-14-10-7-11-15-26;1-28(2,3)34(4,5)32-21-26(22-12-8-6-9-13-22)23-16-17-27-24(20-23)18-19-29(27)33(30,31)25-14-10-7-11-15-25;1-29-24(26)17-22(18-8-4-2-5-9-18)19-12-13-23-20(16-19)14-15-25(23)30(27,28)21-10-6-3-7-11-21;24-16-21(17-7-3-1-4-8-17)18-11-12-22-19(15-18)13-14-23(22)27(25,26)20-9-5-2-6-10-20;1-23-18(20)10-8-14-7-9-17-15(13-14)11-12-19(17)24(21,22)16-5-3-2-4-6-16;17-11-12-6-7-15-13(10-12)8-9-16(15)20(18,19)14-4-2-1-3-5-14;11-6-7-1-2-9-8(5-7)3-4-10-9/h6-19,27H,21H2,1-5H3;6-20,26H,21H2,1-5H3;2-16,22H,17H2,1H3;1-15,21,24H,16H2;2-13H,1H3;1-11H;1-6,10H/b;;;;10-8+;;
InChIKeyFDSNXNUGQVICSI-PMMPMWOVSA-N
XLogP30.25
TPSA399.43 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002577.31
LogP ≤ 530.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate with MolForge

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Related Compounds

3-(3-cyano-1H-indol-5-yl)propyl methanesulfonate;5-(3-hydroxypropyl)-1H-indole-3-carbonitrile;1H-indole-5-carbaldehyde;1H-indol-5-ylmethanol;methyl 3-(3-cyano-1H-indol-5-yl)propanoate;methyl (E)-3-(3-cyano-1H-indol-5-yl)prop-2-enoate;methyl 1H-indole-5-carboxylate;methyl (E)-3-(1H-indol-5-yl)prop-2-enoate
CID 158166511
CID 158257998
CID 158257998
3-acetyl-1-(benzenesulfonyl)indole-5-carboxylic acid;1-(benzenesulfonyl)-5-methylindole;bis(1-[1-(benzenesulfonyl)-5-methylindol-3-yl]ethanone);1H-indole-5-carboxylic acid;5-methyl-1H-indole
CID 158313733
1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate
CID 158691790
CID 158914222
CID 158914222
3-bromopropoxymethylbenzene;3-formyl-1H-indole-5-carbonitrile;3-formyl-1-(4-methylphenyl)sulfonylindole-5-carbonitrile;3-(4-hydroxybutyl)-1-(4-methylphenyl)sulfonylindole-5-carbonitrile;1H-indole-5-carbonitrile;3-(4-iodobutyl)-1-(4-methylphenyl)sulfonylindole-5-carbonitrile;1-(4-methylphenyl)sulfonyl-3-[(E)-4-phenylmethoxybut-1-enyl]indole-5-carbonitrile;1-(4-methylphenyl)sulfonyl-3-(4-phenylmethoxybutyl)indole-5-carbonitrile;triphenyl(3-phenylmethoxypropyl)phosphanium;bromide
CID 160237459
CID 160808036
CID 160808036

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate?
The IUPAC name of 1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate (CID 158000951) is 1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate.
What is the SMILES notation for 1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate?
The canonical SMILES for 1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate is CC(C)(C)[Si](C)(C)OCC(c1ccccc1)c1ccc2c(c1)cc(C#N)n2S(=O)(=O)c1ccccc1.CC(C)(C)[Si](C)(C)OCC(c1ccccc1)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.COC(=O)/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.COC(=O)CC(c1ccccc1)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.O=Cc1ccc2[nH]ccc2c1.O=Cc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1.O=S(=O)(c1ccccc1)n1ccc2cc(C(CO)c3ccccc3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate?
The InChIKey is FDSNXNUGQVICSI-PMMPMWOVSA-N. The full InChI is InChI=1S/C29H32N2O3SSi.C28H33NO3SSi.C24H21NO4S.C22H19NO3S.C18H15NO4S.C15H11NO3S.C9H7NO/c1-29(2,3)36(4,5)34-21-27(22-12-8-6-9-13-22)23-16-17-28-24(18-23)19-25(20-30)31(28)35(32,33)26-14-10-7-11-15-26;1-28(2,3)34(4,5)32-21-26(22-12-8-6-9-13-22)23-16-17-27-24(20-23)18-19-29(27)33(30,31)25-14-10-7-11-15-25;1-29-24(26)17-22(18-8-4-2-5-9-18)19-12-13-23-20(16-19)14-15-25(23)30(27,28)21-10-6-3-7-11-21;24-16-21(17-7-3-1-4-8-17)18-11-12-22-19(15-18)13-14-23(22)27(25,26)20-9-5-2-6-10-20;1-23-18(20)10-8-14-7-9-17-15(13-14)11-12-19(17)24(21,22)16-5-3-2-4-6-16;17-11-12-6-7-15-13(10-12)8-9-16(15)20(18,19)14-4-2-1-3-5-14;11-6-7-1-2-9-8(5-7)3-4-10-9/h6-19,27H,21H2,1-5H3;6-20,26H,21H2,1-5H3;2-16,22H,17H2,1H3;1-15,21,24H,16H2;2-13H,1H3;1-11H;1-6,10H/b;;;;10-8+;;.
What are the key properties of 1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate?
1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate has a molecular weight of 2577.31 g/mol, XLogP of 30.25, 33 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-[2-[tert-butyl(dimethyl)silyl]oxy-1-phenylethyl]indole-2-carbonitrile;1-(benzenesulfonyl)indole-5-carbaldehyde;2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethanol;[2-[1-(benzenesulfonyl)indol-5-yl]-2-phenylethoxy]-tert-butyl-dimethylsilane;1H-indole-5-carbaldehyde;methyl 3-[1-(benzenesulfonyl)indol-5-yl]-3-phenylpropanoate;methyl (E)-3-[1-(benzenesulfonyl)indol-5-yl]prop-2-enoate is sourced from PubChem (CID 158000951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).