5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene

C111H136Br2N10O5S — CID 157057394

IUPAC5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene
SMILESC=CS(=O)(=O)c1ccccc1.CC(=O)n1cc(C[C@H]2CCCN2C)c2cc(Br)ccc21.CC[C@H](Cc1c[nH]c2ccc(CCCc3ccccc3)cc12)N(C)C.CC[C@H](Cc1cn(C(C)=O)c2ccc(/C=C/Cc3ccccc3)cc12)N(C)C.CC[C@H](Cc1cn(C(C)=O)c2ccc(CCCc3ccccc3)cc12)N(C)C.CN1CCC[C@@H]1Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C25H32N2O.C25H30N2O.C23H30N2.C16H19BrN2O.C14H17BrN2.C8H8O2S/c2*1-5-23(26(3)4)17-22-18-27(19(2)28)25-15-14-21(16-24(22)25)13-9-12-20-10-7-6-8-11-20;1-4-21(25(2)3)16-20-17-24-23-14-13-19(15-22(20)23)12-8-11-18-9-6-5-7-10-18;1-11(20)19-10-12(8-14-4-3-7-18(14)2)15-9-13(17)5-6-16(15)19;1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14;1-2-11(9,10)8-6-4-3-5-7-8/h6-8,10-11,14-16,18,23H,5,9,12-13,17H2,1-4H3;6-11,13-16,18,23H,5,12,17H2,1-4H3;5-7,9-10,13-15,17,21,24H,4,8,11-12,16H2,1-3H3;5-6,9-10,14H,3-4,7-8H2,1-2H3;4-5,8-9,12,16H,2-3,6-7H2,1H3;2-7H,1H2/b;13-9+;;;;/t2*23-;21-;14-;12-;/m11111./s1
InChIKeyAAXNTNKPZMYJCP-HTDMZOGESA-N
MW1882.25 g/mol
LogP24.90
Rot. Bonds29

About 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene

5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene (PubChem CID 157057394) has the molecular formula C111H136Br2N10O5S and a molecular weight of 1882.25 g/mol. Its IUPAC name is 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene.

Molecular Properties

Compound Name5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene
PubChem CID157057394
Molecular FormulaC111H136Br2N10O5S
Molecular Weight1882.25 g/mol
Exact Mass1878.88
IUPAC Name5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene
SMILESC=CS(=O)(=O)c1ccccc1.CC(=O)n1cc(C[C@H]2CCCN2C)c2cc(Br)ccc21.CC[C@H](Cc1c[nH]c2ccc(CCCc3ccccc3)cc12)N(C)C.CC[C@H](Cc1cn(C(C)=O)c2ccc(/C=C/Cc3ccccc3)cc12)N(C)C.CC[C@H](Cc1cn(C(C)=O)c2ccc(CCCc3ccccc3)cc12)N(C)C.CN1CCC[C@@H]1Cc1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C25H32N2O.C25H30N2O.C23H30N2.C16H19BrN2O.C14H17BrN2.C8H8O2S/c2*1-5-23(26(3)4)17-22-18-27(19(2)28)25-15-14-21(16-24(22)25)13-9-12-20-10-7-6-8-11-20;1-4-21(25(2)3)16-20-17-24-23-14-13-19(15-22(20)23)12-8-11-18-9-6-5-7-10-18;1-11(20)19-10-12(8-14-4-3-7-18(14)2)15-9-13(17)5-6-16(15)19;1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14;1-2-11(9,10)8-6-4-3-5-7-8/h6-8,10-11,14-16,18,23H,5,9,12-13,17H2,1-4H3;6-11,13-16,18,23H,5,12,17H2,1-4H3;5-7,9-10,13-15,17,21,24H,4,8,11-12,16H2,1-3H3;5-6,9-10,14H,3-4,7-8H2,1-2H3;4-5,8-9,12,16H,2-3,6-7H2,1H3;2-7H,1H2/b;13-9+;;;;/t2*23-;21-;14-;12-;/m11111./s1
InChIKeyAAXNTNKPZMYJCP-HTDMZOGESA-N
XLogP24.90
TPSA147.92 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001882.25
LogP ≤ 524.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Analyze 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene with MolForge

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Related Compounds

5-[(E)-2-(benzenesulfonyl)ethenyl]-1-[2-(benzenesulfonyl)-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 10147140
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
bis(5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole);hydrobromide
CID 68756200
5-[2-(benzenesulfonyl)ethenyl]-1-[2-(benzenesulfonyl)-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 91142441
5-[2-(benzenesulfonyl)ethyl]-1-[2-(benzenesulfonyl)-1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indole
CID 130268233
5-[(Z)-2-(benzenesulfonyl)ethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1-[1-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]ethyl]indole
CID 142148087
1-[5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
CID 157610703
1-(benzenesulfonyl)-5-bromo-3-propylindole;2-[1-(benzenesulfonyl)-5-naphthalen-2-ylindol-3-yl]ethanamine;1-(benzenesulfonyl)-5-naphthalen-2-yl-3-propylindole;2-(5-bromo-1H-indol-3-yl)ethanamine;2-(5-naphthalen-2-yl-2,3-dihydro-1H-indol-3-yl)ethanamine;5-naphthalen-2-yl-3-propyl-1H-indole
CID 157815270
tert-butyl 7-(bromomethyl)indole-1-carboxylate;tert-butyl 7-methylindole-1-carboxylate;tert-butyl 7-(methylsulfanylmethyl)indole-1-carboxylate;7-methyl-1H-indole;7-(methylsulfanylmethyl)-1H-indole
CID 158070662
(3Z)-5-bromo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;methane;(3Z)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one;(3Z)-5-[1-(sulfonylamino)ethyl]-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one;(3Z)-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methylidene]-1H-indol-2-one
CID 158206344
1-(benzenesulfonyl)-5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;benzenesulfonyl chloride;5-bromo-1H-indole;5-bromo-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-methylpiperidin-4-one
CID 158360464
5-[2-(benzenesulfonyl)-1,2-dideuterioethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-[(E)-2-(benzenesulfonyl)ethenyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;carbanide;palladium
CID 158492824

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene?
The IUPAC name of 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene (CID 157057394) is 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene.
What is the SMILES notation for 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene?
The canonical SMILES for 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene is C=CS(=O)(=O)c1ccccc1.CC(=O)n1cc(C[C@H]2CCCN2C)c2cc(Br)ccc21.CC[C@H](Cc1c[nH]c2ccc(CCCc3ccccc3)cc12)N(C)C.CC[C@H](Cc1cn(C(C)=O)c2ccc(/C=C/Cc3ccccc3)cc12)N(C)C.CC[C@H](Cc1cn(C(C)=O)c2ccc(CCCc3ccccc3)cc12)N(C)C.CN1CCC[C@@H]1Cc1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene?
The InChIKey is AAXNTNKPZMYJCP-HTDMZOGESA-N. The full InChI is InChI=1S/C25H32N2O.C25H30N2O.C23H30N2.C16H19BrN2O.C14H17BrN2.C8H8O2S/c2*1-5-23(26(3)4)17-22-18-27(19(2)28)25-15-14-21(16-24(22)25)13-9-12-20-10-7-6-8-11-20;1-4-21(25(2)3)16-20-17-24-23-14-13-19(15-22(20)23)12-8-11-18-9-6-5-7-10-18;1-11(20)19-10-12(8-14-4-3-7-18(14)2)15-9-13(17)5-6-16(15)19;1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14;1-2-11(9,10)8-6-4-3-5-7-8/h6-8,10-11,14-16,18,23H,5,9,12-13,17H2,1-4H3;6-11,13-16,18,23H,5,12,17H2,1-4H3;5-7,9-10,13-15,17,21,24H,4,8,11-12,16H2,1-3H3;5-6,9-10,14H,3-4,7-8H2,1-2H3;4-5,8-9,12,16H,2-3,6-7H2,1H3;2-7H,1H2/b;13-9+;;;;/t2*23-;21-;14-;12-;/m11111./s1.
What are the key properties of 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene?
5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene has a molecular weight of 1882.25 g/mol, XLogP of 24.90, 29 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;1-[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-[(E)-3-phenylprop-1-enyl]indol-1-yl]ethanone;1-[3-[(2R)-2-(dimethylamino)butyl]-5-(3-phenylpropyl)indol-1-yl]ethanone;(2R)-N,N-dimethyl-1-[5-(3-phenylpropyl)-1H-indol-3-yl]butan-2-amine;ethenylsulfonylbenzene is sourced from PubChem (CID 157057394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).