3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole

C125H130F6N12O11S7 — CID 160834162

IUPAC3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole
SMILESCCS(=O)(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.CS(=O)(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.CS(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.O=S(=O)(CC(F)(F)F)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.O=S(=O)(c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)C(F)(F)F.O=S(=O)(c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cccs1
InChIInChI=1S/C23H22N2O2S2.C21H21F3N2O2S.C21H24N2O2S.C20H19F3N2O2S.C20H22N2O2S.C20H22N2OS/c26-29(27,23-9-4-12-28-23)20-6-3-5-17(13-20)18-10-11-25(15-18)16-19-14-24-22-8-2-1-7-21(19)22;22-21(23,24)14-29(27,28)18-5-3-4-15(10-18)16-8-9-26(12-16)13-17-11-25-20-7-2-1-6-19(17)20;1-2-26(24,25)19-7-5-6-16(12-19)17-10-11-23(14-17)15-18-13-22-21-9-4-3-8-20(18)21;21-20(22,23)28(26,27)17-5-3-4-14(10-17)15-8-9-25(12-15)13-16-11-24-19-7-2-1-6-18(16)19;1-25(23,24)18-6-4-5-15(11-18)16-9-10-22(13-16)14-17-12-21-20-8-3-2-7-19(17)20;1-24(23)18-6-4-5-15(11-18)16-9-10-22(13-16)14-17-12-21-20-8-3-2-7-19(17)20/h1-9,12-14,18,24H,10-11,15-16H2;1-7,10-11,16,25H,8-9,12-14H2;3-9,12-13,17,22H,2,10-11,14-15H2,1H3;1-7,10-11,15,24H,8-9,12-13H2;2-8,11-12,16,21H,9-10,13-14H2,1H3;2-8,11-12,16,21H,9-10,13-14H2,1H3
InChIKeySHERCSXVDCGHGT-UHFFFAOYSA-N
MW2314.94 g/mol
LogP25.40
Rot. Bonds27

About 3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole

3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole (PubChem CID 160834162) has the molecular formula C125H130F6N12O11S7 and a molecular weight of 2314.94 g/mol. Its IUPAC name is 3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole.

Molecular Properties

Compound Name3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole
PubChem CID160834162
Molecular FormulaC125H130F6N12O11S7
Molecular Weight2314.94 g/mol
Exact Mass2312.79
IUPAC Name3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole
SMILESCCS(=O)(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.CS(=O)(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.CS(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.O=S(=O)(CC(F)(F)F)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.O=S(=O)(c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)C(F)(F)F.O=S(=O)(c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cccs1
InChIInChI=1S/C23H22N2O2S2.C21H21F3N2O2S.C21H24N2O2S.C20H19F3N2O2S.C20H22N2O2S.C20H22N2OS/c26-29(27,23-9-4-12-28-23)20-6-3-5-17(13-20)18-10-11-25(15-18)16-19-14-24-22-8-2-1-7-21(19)22;22-21(23,24)14-29(27,28)18-5-3-4-15(10-18)16-8-9-26(12-16)13-17-11-25-20-7-2-1-6-19(17)20;1-2-26(24,25)19-7-5-6-16(12-19)17-10-11-23(14-17)15-18-13-22-21-9-4-3-8-20(18)21;21-20(22,23)28(26,27)17-5-3-4-14(10-17)15-8-9-25(12-15)13-16-11-24-19-7-2-1-6-18(16)19;1-25(23,24)18-6-4-5-15(11-18)16-9-10-22(13-16)14-17-12-21-20-8-3-2-7-19(17)20;1-24(23)18-6-4-5-15(11-18)16-9-10-22(13-16)14-17-12-21-20-8-3-2-7-19(17)20/h1-9,12-14,18,24H,10-11,15-16H2;1-7,10-11,16,25H,8-9,12-14H2;3-9,12-13,17,22H,2,10-11,14-15H2,1H3;1-7,10-11,15,24H,8-9,12-13H2;2-8,11-12,16,21H,9-10,13-14H2,1H3;2-8,11-12,16,21H,9-10,13-14H2,1H3
InChIKeySHERCSXVDCGHGT-UHFFFAOYSA-N
XLogP25.40
TPSA301.95 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002314.94
LogP ≤ 525.40
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole with MolForge

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Related Compounds

3-[[5-[bis(1H-indol-3-yl)methyl]thiophen-2-yl]-(1H-indol-3-yl)methyl]-1H-indole
CID 57326687
Eletriptan hemisulfate
CID 9832589
2-[1-(Benzenesulfonyl)-5-thiophen-2-ylindol-3-yl]ethanamine;2-[1-(benzenesulfonyl)-5-[3-(trifluoromethyl)phenyl]indol-3-yl]ethanamine;dihydrochloride
CID 160539075
1-(1-benzothiophen-2-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-(1-benzothiophen-2-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(5-methyl-1-phenylpyrazol-4-yl)sulfonyl-5-(trifluoromethyl)indole
CID 161795747
3-[(4-methylphenyl)sulfonylmethyl]-1H-indole
CID 168330486
2-phenyl-3-[3-thiophen-3-yl-5-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]thiophen-2-yl]-1H-indole
CID 162621008
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)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;N,N-dimethyl-2-[5-(pyrrolidin-1-ylsulfonylmethyl)-1H-indol-3-yl]ethanamine
CID 70976624
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

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole?
The IUPAC name of 3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole (CID 160834162) is 3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole.
What is the SMILES notation for 3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole?
The canonical SMILES for 3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole is CCS(=O)(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.CS(=O)(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.CS(=O)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.O=S(=O)(CC(F)(F)F)c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1.O=S(=O)(c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)C(F)(F)F.O=S(=O)(c1cccc(C2CCN(Cc3c[nH]c4ccccc34)C2)c1)c1cccs1.
What is the InChIKey of 3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole?
The InChIKey is SHERCSXVDCGHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S2.C21H21F3N2O2S.C21H24N2O2S.C20H19F3N2O2S.C20H22N2O2S.C20H22N2OS/c26-29(27,23-9-4-12-28-23)20-6-3-5-17(13-20)18-10-11-25(15-18)16-19-14-24-22-8-2-1-7-21(19)22;22-21(23,24)14-29(27,28)18-5-3-4-15(10-18)16-8-9-26(12-16)13-17-11-25-20-7-2-1-6-19(17)20;1-2-26(24,25)19-7-5-6-16(12-19)17-10-11-23(14-17)15-18-13-22-21-9-4-3-8-20(18)21;21-20(22,23)28(26,27)17-5-3-4-14(10-17)15-8-9-25(12-15)13-16-11-24-19-7-2-1-6-18(16)19;1-25(23,24)18-6-4-5-15(11-18)16-9-10-22(13-16)14-17-12-21-20-8-3-2-7-19(17)20;1-24(23)18-6-4-5-15(11-18)16-9-10-22(13-16)14-17-12-21-20-8-3-2-7-19(17)20/h1-9,12-14,18,24H,10-11,15-16H2;1-7,10-11,16,25H,8-9,12-14H2;3-9,12-13,17,22H,2,10-11,14-15H2,1H3;1-7,10-11,15,24H,8-9,12-13H2;2-8,11-12,16,21H,9-10,13-14H2,1H3;2-8,11-12,16,21H,9-10,13-14H2,1H3.
What are the key properties of 3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole?
3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole has a molecular weight of 2314.94 g/mol, XLogP of 25.40, 27 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-ethylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfinylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-methylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-(3-thiophen-2-ylsulfonylphenyl)pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(2,2,2-trifluoroethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole;3-[[3-[3-(trifluoromethylsulfonyl)phenyl]pyrrolidin-1-yl]methyl]-1H-indole is sourced from PubChem (CID 160834162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).