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

C23H24F3N3O2S — CID 24743905

IUPACN,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C23H24F3N3O2S/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/h4-10,14-15H,11-13H2,1-3H3
InChIKeyODGOLVTZZORYQP-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.68
Rot. Bonds4

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

N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline (PubChem CID 24743905) has the molecular formula C23H24F3N3O2S and a molecular weight of 463.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
PubChem CID24743905
Molecular FormulaC23H24F3N3O2S
Molecular Weight463.53 g/mol
Exact Mass463.15
IUPAC NameN,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C23H24F3N3O2S/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/h4-10,14-15H,11-13H2,1-3H3
InChIKeyODGOLVTZZORYQP-UHFFFAOYSA-N
XLogP4.68
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
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pyrrolidinylindole, (R)-5b
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N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
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n1-(4-Aminobenzenesulfonyl)skatole
CID 10356663
N-benzenesulfonylgramine antagonist, 8
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1-(4-(methylsulfonyl)phenyl)-1H-indole
CID 11958319

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?
The IUPAC name of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline (CID 24743905) is N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline.
What is the SMILES notation for N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?
The canonical SMILES for N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline is CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?
The InChIKey is ODGOLVTZZORYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S/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/h4-10,14-15H,11-13H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline?
N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline has a molecular weight of 463.53 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline is sourced from PubChem (CID 24743905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).