N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline

C67H73F4N9O6S3 — CID 160697018

IUPACN,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccccc23)CC1
InChIInChI=1S/C23H24F3N3O2S.C22H24FN3O2S.C22H25N3O2S/c1-27(2)18-5-7-19(8-6-18)32(30,31)29-15-21(16-10-12-28(3)13-11-16)20-14-17(23(24,25)26)4-9-22(20)29;1-24(2)18-5-7-19(8-6-18)29(27,28)26-15-21(16-10-12-25(3)13-11-16)20-14-17(23)4-9-22(20)26;1-23(2)18-8-10-19(11-9-18)28(26,27)25-16-21(17-12-14-24(3)15-13-17)20-6-4-5-7-22(20)25/h4-10,14-15H,11-13H2,1-3H3;4-10,14-15H,11-13H2,1-3H3;4-12,16H,13-15H2,1-3H3
InChIKeyRQCZAAMTKAUYHJ-UHFFFAOYSA-N
MW1272.57 g/mol
LogP12.15
Rot. Bonds12

About N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline

N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline (PubChem CID 160697018) has the molecular formula C67H73F4N9O6S3 and a molecular weight of 1272.57 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline
PubChem CID160697018
Molecular FormulaC67H73F4N9O6S3
Molecular Weight1272.57 g/mol
Exact Mass1271.48
IUPAC NameN,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccccc23)CC1
InChIInChI=1S/C23H24F3N3O2S.C22H24FN3O2S.C22H25N3O2S/c1-27(2)18-5-7-19(8-6-18)32(30,31)29-15-21(16-10-12-28(3)13-11-16)20-14-17(23(24,25)26)4-9-22(20)29;1-24(2)18-5-7-19(8-6-18)29(27,28)26-15-21(16-10-12-25(3)13-11-16)20-14-17(23)4-9-22(20)26;1-23(2)18-8-10-19(11-9-18)28(26,27)25-16-21(17-12-14-24(3)15-13-17)20-6-4-5-7-22(20)25/h4-10,14-15H,11-13H2,1-3H3;4-10,14-15H,11-13H2,1-3H3;4-12,16H,13-15H2,1-3H3
InChIKeyRQCZAAMTKAUYHJ-UHFFFAOYSA-N
XLogP12.15
TPSA136.65 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001272.57
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline 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

1-(4-Fluoro-benzenesulfonyl)-3-(1-methyl-pyrrolidin-3-yl)-1H-indole
CID 9924959
2-[(1-Methylindol-3-yl)methyl]-1-(4-methylphenyl)sulfonyl-3-phenylindole
CID 118885471
1-Benzyl-3-[(1-benzylindol-1-ium-3-ylidene)-(1-benzylindol-3-yl)methyl]indole;methanesulfonate
CID 52942425
1-(4-Methylphenyl)sulfonyl-3-[6-[1-(4-methylphenyl)sulfonylindol-3-yl]-4-(trifluoromethyl)-2-pyridinyl]indole
CID 44362396
N-[(2,3-difluorophenyl)methyl]-4-fluoro-N-[[1-(4-fluorophenyl)sulfonylindol-3-yl]methyl]benzenesulfonamide
CID 145952375
N-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]-4-methyl-N-[[1-(4-methylphenyl)sulfonyl-3-phenylindol-2-yl]methyl]benzenesulfonamide
CID 145952444
N-[(2,3-difluorophenyl)methyl]-N-[[1-(4-fluorophenyl)sulfonylindol-3-yl]methyl]-4-methylbenzenesulfonamide
CID 145954480
N-[(2,3-difluorophenyl)methyl]-4-methyl-N-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]benzenesulfonamide
CID 145960283
N-[(2,3-difluorophenyl)methyl]-N-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-1-phenylmethanamine
CID 145971445
9-pyridin-2-ylsulfonyl-1,8-bis[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]carbazole
CID 71584498
N-[(S)-1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 139118329
1-(4-Methylphenyl)sulfonyl-5-(2,4,6-trifluorophenyl)indole
CID 154722869

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline?
The IUPAC name of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline (CID 160697018) is N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline.
What is the SMILES notation for N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline?
The canonical SMILES for N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline is CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccccc23)CC1.
What is the InChIKey of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline?
The InChIKey is RQCZAAMTKAUYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S.C22H24FN3O2S.C22H25N3O2S/c1-27(2)18-5-7-19(8-6-18)32(30,31)29-15-21(16-10-12-28(3)13-11-16)20-14-17(23(24,25)26)4-9-22(20)29;1-24(2)18-5-7-19(8-6-18)29(27,28)26-15-21(16-10-12-25(3)13-11-16)20-14-17(23)4-9-22(20)26;1-23(2)18-8-10-19(11-9-18)28(26,27)25-16-21(17-12-14-24(3)15-13-17)20-6-4-5-7-22(20)25/h4-10,14-15H,11-13H2,1-3H3;4-10,14-15H,11-13H2,1-3H3;4-12,16H,13-15H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline?
N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline has a molecular weight of 1272.57 g/mol, XLogP of 12.15, 12 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline is sourced from PubChem (CID 160697018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).