ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole

C31H34N2O2S — CID 91530661

IUPACethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole
SMILESC=CS(=O)(=O)c1ccccc1.CN1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C/Cc3ccccc3)cc12
InChIInChI=1S/C23H26N2.C8H8O2S/c1-25-14-6-11-21(25)16-20-17-24-23-13-12-19(15-22(20)23)10-5-9-18-7-3-2-4-8-18;1-2-11(9,10)8-6-4-3-5-7-8/h2-5,7-8,10,12-13,15,17,21,24H,6,9,11,14,16H2,1H3;2-7H,1H2/b10-5+;/t21-;/m1./s1
InChIKeyVHCDOQHLSAGILN-ABCZXYBVSA-N
MW498.69 g/mol
LogP6.66
Rot. Bonds7

About ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole

ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole (PubChem CID 91530661) has the molecular formula C31H34N2O2S and a molecular weight of 498.69 g/mol. Its IUPAC name is ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole.

Molecular Properties

Compound Nameethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole
PubChem CID91530661
Molecular FormulaC31H34N2O2S
Molecular Weight498.69 g/mol
Exact Mass498.23
IUPAC Nameethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole
SMILESC=CS(=O)(=O)c1ccccc1.CN1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C/Cc3ccccc3)cc12
InChIInChI=1S/C23H26N2.C8H8O2S/c1-25-14-6-11-21(25)16-20-17-24-23-13-12-19(15-22(20)23)10-5-9-18-7-3-2-4-8-18;1-2-11(9,10)8-6-4-3-5-7-8/h2-5,7-8,10,12-13,15,17,21,24H,6,9,11,14,16H2,1H3;2-7H,1H2/b10-5+;/t21-;/m1./s1
InChIKeyVHCDOQHLSAGILN-ABCZXYBVSA-N
XLogP6.66
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.69
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(E)-2-(4-methylphenyl)sulfonylethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67692093
5-[2-(4-methylphenyl)sulfonylethenyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 67692097
5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 10220397
N-[3-[3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-yl]prop-2-enyl]benzamide
CID 57122528
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;ethene
CID 143897190
5-[2-(benzenesulfonyl)ethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole;5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 67074900
1-[(E)-3-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]prop-2-enyl]cyclopentan-1-ol
CID 22870304
5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;(Z)-but-2-enedioic acid
CID 46195791
5-bromo-1H-indole;(5-bromo-1H-indol-3-yl)-(1-methylpyrrolidin-2-yl)methanone;5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-(chloromethoxy)-1-methylpyrrolidine;(2R)-N,N-dimethyl-1-[5-[(E)-3-phenylprop-1-enyl]-1H-indol-3-yl]butan-2-amine;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene;hydroiodide
CID 160608024
1-[2-(benzenesulfonyl)-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethyl]-5-ethenyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 163480743
N,N-dibenzyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indol-5-amine
CID 54377816
N-methyl-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole-5-sulfonamide
CID 163863896

Frequently Asked Questions

What is the IUPAC name of ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole?
The IUPAC name of ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole (CID 91530661) is ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole.
What is the SMILES notation for ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole?
The canonical SMILES for ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole is C=CS(=O)(=O)c1ccccc1.CN1CCC[C@@H]1Cc1c[nH]c2ccc(/C=C/Cc3ccccc3)cc12.
What is the InChIKey of ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole?
The InChIKey is VHCDOQHLSAGILN-ABCZXYBVSA-N. The full InChI is InChI=1S/C23H26N2.C8H8O2S/c1-25-14-6-11-21(25)16-20-17-24-23-13-12-19(15-22(20)23)10-5-9-18-7-3-2-4-8-18;1-2-11(9,10)8-6-4-3-5-7-8/h2-5,7-8,10,12-13,15,17,21,24H,6,9,11,14,16H2,1H3;2-7H,1H2/b10-5+;/t21-;/m1./s1.
What are the key properties of ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole?
ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole has a molecular weight of 498.69 g/mol, XLogP of 6.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylsulfonylbenzene;3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5-[(E)-3-phenylprop-1-enyl]-1H-indole is sourced from PubChem (CID 91530661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).