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

C116H106N6O18S5Si — CID 158691790

IUPAC1-(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(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/C28H33NO3SSi.C24H21NO4S.C22H19NO3S.C18H15NO4S.C15H11NO3S.C9H7NO/c1-28(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/h6-20,26H,21H2,1-5H3;2-16,22H,17H2,1H3;1-15,21,24H,16H2;2-13H,1H3;1-11H;1-6,10H/b;;;10-8+;;
InChIKeyIGLCFJDMKQDFKF-DFCFESKQSA-N
MW2060.57 g/mol
LogP23.34
Rot. Bonds26

About 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)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 158691790) has the molecular formula C116H106N6O18S5Si and a molecular weight of 2060.57 g/mol. Its IUPAC name is 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)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 CID158691790
Molecular FormulaC116H106N6O18S5Si
Molecular Weight2060.57 g/mol
Exact Mass2058.59
IUPAC Name1-(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(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/C28H33NO3SSi.C24H21NO4S.C22H19NO3S.C18H15NO4S.C15H11NO3S.C9H7NO/c1-28(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/h6-20,26H,21H2,1-5H3;2-16,22H,17H2,1H3;1-15,21,24H,16H2;2-13H,1H3;1-11H;1-6,10H/b;;;10-8+;;
InChIKeyIGLCFJDMKQDFKF-DFCFESKQSA-N
XLogP23.34
TPSA327.34 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms146
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002060.57
LogP ≤ 523.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

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)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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;3-(1H-indol-3-yl)-1H-indole-4-carboxylic acid;methyl 1-(4-methylphenyl)sulfonyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]indole-4-carboxylate;methyl 1-(4-methylphenyl)sulfonyl-3-tributylstannylindole-4-carboxylate;hydroxide
CID 157671128
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
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
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
acetonitrile;ethyl (E)-3-(1H-indol-5-yl)prop-2-enoate;ethyl (E)-3-[1-(4-methylphenyl)sulfonylindol-5-yl]prop-2-enoate;ethyl prop-2-enoate;1H-indole-5-carbaldehyde
CID 158570810
CID 158914222
CID 158914222
dilithium;3-(1H-indol-3-yl)-1H-indole-2-carboxylic acid;3-(1H-indol-3-yl)-1-(4-methylphenyl)sulfonylindole-2-carboxylic acid;1-(4-methylphenyl)sulfonyl-3-[1-(4-methylphenyl)sulfonylindol-3-yl]indole-2-carboxylic acid;tributyl-[1-(4-methylphenyl)sulfonylindol-3-yl]stannane;dihydroxide
CID 159210874
CID 160808036
CID 160808036
2-amino-1-[2-(1H-indol-5-ylmethyl)phenyl]ethanol;2-[[1-(benzenesulfonyl)indol-5-yl]methyl]benzaldehyde;1-[2-[[1-(benzenesulfonyl)indol-5-yl]methyl]phenyl]-2-nitroethanol;2-(1H-indol-5-ylmethyl)benzaldehyde;methane;tungsten
CID 161443739

Frequently Asked Questions

What is the IUPAC name of 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)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) is 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)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)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(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)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 IGLCFJDMKQDFKF-DFCFESKQSA-N. The full InChI is InChI=1S/C28H33NO3SSi.C24H21NO4S.C22H19NO3S.C18H15NO4S.C15H11NO3S.C9H7NO/c1-28(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/h6-20,26H,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)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)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 2060.57 g/mol, XLogP of 23.34, 26 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 158691790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).