1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole

C24H24F3N3O2S — CID 59259479

IUPAC1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4C)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C24H24F3N3O2S/c1-28-10-7-16(8-11-28)21-15-30(23-5-3-18(14-20(21)23)24(25,26)27)33(31,32)19-4-6-22-17(13-19)9-12-29(22)2/h3-7,13-15H,8-12H2,1-2H3
InChIKeySUSAMOLJIZDFFW-UHFFFAOYSA-N
MW475.54 g/mol
LogP4.61
Rot. Bonds3

About 1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole

1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole (PubChem CID 59259479) has the molecular formula C24H24F3N3O2S and a molecular weight of 475.54 g/mol. Its IUPAC name is 1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
PubChem CID59259479
Molecular FormulaC24H24F3N3O2S
Molecular Weight475.54 g/mol
Exact Mass475.15
IUPAC Name1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4C)c3ccc(C(F)(F)F)cc23)CC1
InChIInChI=1S/C24H24F3N3O2S/c1-28-10-7-16(8-11-28)21-15-30(23-5-3-18(14-20(21)23)24(25,26)27)33(31,32)19-4-6-22-17(13-19)9-12-29(22)2/h3-7,13-15H,8-12H2,1-2H3
InChIKeySUSAMOLJIZDFFW-UHFFFAOYSA-N
XLogP4.61
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 315017
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
Pyrrolidinylindole, 6
CID 10136837
pyrrolidinylindole, (R)-5b
CID 11351089
Substituted phenylsulfonyltryptamine, 11j
CID 23655465
4-[3-(2-Dimethylamino-ethyl)-indole-1-sulfonyl]-phenylamine
CID 23757270
n1-(4-Aminobenzenesulfonyl)skatole
CID 10356663
N-benzenesulfonylgramine antagonist, 8
CID 11723168
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-(3-methylphenyl)benzene-1-sulfonamide
CID 24825382
N-arenesulfonylindole antagonist, 10
CID 44263491

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
The IUPAC name of 1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole (CID 59259479) is 1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole.
What is the SMILES notation for 1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
The canonical SMILES for 1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCN4C)c3ccc(C(F)(F)F)cc23)CC1.
What is the InChIKey of 1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
The InChIKey is SUSAMOLJIZDFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2S/c1-28-10-7-16(8-11-28)21-15-30(23-5-3-18(14-20(21)23)24(25,26)27)33(31,32)19-4-6-22-17(13-19)9-12-29(22)2/h3-7,13-15H,8-12H2,1-2H3.
What are the key properties of 1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole has a molecular weight of 475.54 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2,3-dihydroindol-5-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole is sourced from PubChem (CID 59259479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).