7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline

C24H24F3N3O2S — CID 90849496

IUPAC7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)=CCN1
InChIInChI=1S/C24H24F3N3O2S/c1-15-11-17(8-10-28-15)21-14-30(23-7-5-18(12-20(21)23)24(25,26)27)33(31,32)19-6-4-16-3-2-9-29-22(16)13-19/h4-8,12-15,28-29H,2-3,9-11H2,1H3
InChIKeyINHRTIHRONRQRD-UHFFFAOYSA-N
MW475.54 g/mol
LogP5.02
Rot. Bonds3

About 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline

7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline (PubChem CID 90849496) has the molecular formula C24H24F3N3O2S and a molecular weight of 475.54 g/mol. Its IUPAC name is 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
PubChem CID90849496
Molecular FormulaC24H24F3N3O2S
Molecular Weight475.54 g/mol
Exact Mass475.15
IUPAC Name7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
SMILESCC1CC(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)=CCN1
InChIInChI=1S/C24H24F3N3O2S/c1-15-11-17(8-10-28-15)21-14-30(23-7-5-18(12-20(21)23)24(25,26)27)33(31,32)19-6-4-16-3-2-9-29-22(16)13-19/h4-8,12-15,28-29H,2-3,9-11H2,1H3
InChIKeyINHRTIHRONRQRD-UHFFFAOYSA-N
XLogP5.02
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.54
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
pyrrolidinylindole, (R)-5b
CID 11351089
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
N-[2-(1H-Indol-3-yl)-ethyl]4-pentyl-benzenesulfonamide
CID 3775371
1-(p-Toluenesulfonyl)tryptamine
CID 14571158
2-[1-(benzenesulfonyl)-1H-indol-3-yl]ethan-1-amine
CID 21071574
N-[2-(1H-indol-3-yl)ethyl]-4-(2-methylphenyl)benzene-1-sulfonamide
CID 24825381
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382
4-(4-ethylphenyl)-N-[2-(1H-indol-3-yl)ethyl]benzene-1-sulfonamide
CID 24825383

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline (CID 90849496) is 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline is CC1CC(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)=CCN1.
What is the InChIKey of 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is INHRTIHRONRQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2S/c1-15-11-17(8-10-28-15)21-14-30(23-7-5-18(12-20(21)23)24(25,26)27)33(31,32)19-6-4-16-3-2-9-29-22(16)13-19/h4-8,12-15,28-29H,2-3,9-11H2,1H3.
What are the key properties of 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline?
7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 475.54 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 90849496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).