1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline

C68H75F3N10O6S3 — CID 159360836

IUPAC1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cccc(N(C)C)c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cccc(N(C)C)c3)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc(N4CCCC4)cc23)CC1
InChIInChI=1S/C24H27N3O2S.C23H24F3N3O2S.C21H24N4O2S/c1-25-15-11-19(12-16-25)23-18-27(30(28,29)21-7-3-2-4-8-21)24-10-9-20(17-22(23)24)26-13-5-6-14-26;1-27(2)18-5-4-6-19(14-18)32(30,31)29-15-21(16-9-11-28(3)12-10-16)20-13-17(23(24,25)26)7-8-22(20)29;1-23(2)17-6-4-7-18(14-17)28(26,27)25-15-20(16-9-12-24(3)13-10-16)19-8-5-11-22-21(19)25/h2-4,7-11,17-18H,5-6,12-16H2,1H3;4-9,13-15H,10-12H2,1-3H3;4-9,11,14-15H,10,12-13H2,1-3H3
InChIKeyLINFEKMWNLALMH-UHFFFAOYSA-N
MW1281.61 g/mol
LogP11.94
Rot. Bonds12

About 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline

1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline (PubChem CID 159360836) has the molecular formula C68H75F3N10O6S3 and a molecular weight of 1281.61 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
PubChem CID159360836
Molecular FormulaC68H75F3N10O6S3
Molecular Weight1281.61 g/mol
Exact Mass1280.50
IUPAC Name1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3cccc(N(C)C)c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cccc(N(C)C)c3)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc(N4CCCC4)cc23)CC1
InChIInChI=1S/C24H27N3O2S.C23H24F3N3O2S.C21H24N4O2S/c1-25-15-11-19(12-16-25)23-18-27(30(28,29)21-7-3-2-4-8-21)24-10-9-20(17-22(23)24)26-13-5-6-14-26;1-27(2)18-5-4-6-19(14-18)32(30,31)29-15-21(16-9-11-28(3)12-10-16)20-13-17(23(24,25)26)7-8-22(20)29;1-23(2)17-6-4-7-18(14-17)28(26,27)25-15-20(16-9-12-24(3)13-10-16)19-8-5-11-22-21(19)25/h2-4,7-11,17-18H,5-6,12-16H2,1H3;4-9,13-15H,10-12H2,1-3H3;4-9,11,14-15H,10,12-13H2,1-3H3
InChIKeyLINFEKMWNLALMH-UHFFFAOYSA-N
XLogP11.94
TPSA149.54 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001281.61
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline with MolForge

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Related Compounds

1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide
CID 127053238
N-[3-[4-[3-(dimethylamino)propylamino]phenyl]-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 58790658
N-[3-[4-[benzenesulfonyl-[3-(dimethylamino)propyl]amino]phenyl]-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 58790954
9-(Benzenesulfonyl)-4,6-bis[2-(3-fluorophenyl)ethenyl]pyrido[2,3-b]indole
CID 66765950
9-(Benzenesulfonyl)-4,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole
CID 66765951
9-(Benzenesulfonyl)-6-[2-(3-fluorophenyl)ethenyl]-4-pentylpyrido[2,3-b]indole
CID 68763109
9-(Benzenesulfonyl)-6-[1-(2-fluorophenyl)ethenyl]-4-pentylpyrido[2,3-b]indole
CID 68763110
N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine
CID 157232105
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-nitroindole;1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(2,3-dihydro-1H-indol-5-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 157282630
7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-2H-quinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
CID 157320475
5-fluoro-1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 157323013
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyridin-3-ylindole;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
CID 157590009

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?
The IUPAC name of 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline (CID 159360836) is 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?
The canonical SMILES for 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline is CN1CC=C(c2cn(S(=O)(=O)c3cccc(N(C)C)c3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3cccc(N(C)C)c3)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc(N4CCCC4)cc23)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?
The InChIKey is LINFEKMWNLALMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S.C23H24F3N3O2S.C21H24N4O2S/c1-25-15-11-19(12-16-25)23-18-27(30(28,29)21-7-3-2-4-8-21)24-10-9-20(17-22(23)24)26-13-5-6-14-26;1-27(2)18-5-4-6-19(14-18)32(30,31)29-15-21(16-9-11-28(3)12-10-16)20-13-17(23(24,25)26)7-8-22(20)29;1-23(2)17-6-4-7-18(14-17)28(26,27)25-15-20(16-9-12-24(3)13-10-16)19-8-5-11-22-21(19)25/h2-4,7-11,17-18H,5-6,12-16H2,1H3;4-9,13-15H,10-12H2,1-3H3;4-9,11,14-15H,10,12-13H2,1-3H3.
What are the key properties of 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?
1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline has a molecular weight of 1281.61 g/mol, XLogP of 11.94, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-pyrrolidin-1-ylindole;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline is sourced from PubChem (CID 159360836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).