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

C24H24F3N3O2S — CID 91464831

IUPAC1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole
SMILESCC1CC(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CC4)c3ccc(C(F)(F)F)cc23)=CCN1
InChIInChI=1S/C24H24F3N3O2S/c1-15-11-17(7-9-28-15)21-14-30(22-6-4-18(12-20(21)22)24(25,26)27)33(31,32)19-5-3-16-8-10-29(2)23(16)13-19/h3-7,12-15,28H,8-11H2,1-2H3
InChIKeyIJDMRNGRDFQHDZ-UHFFFAOYSA-N
MW475.54 g/mol
LogP4.65
Rot. Bonds3

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

1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole (PubChem CID 91464831) has the molecular formula C24H24F3N3O2S and a molecular weight of 475.54 g/mol. Its IUPAC name is 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole
PubChem CID91464831
Molecular FormulaC24H24F3N3O2S
Molecular Weight475.54 g/mol
Exact Mass475.15
IUPAC Name1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole
SMILESCC1CC(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CC4)c3ccc(C(F)(F)F)cc23)=CCN1
InChIInChI=1S/C24H24F3N3O2S/c1-15-11-17(7-9-28-15)21-14-30(22-6-4-18(12-20(21)22)24(25,26)27)33(31,32)19-5-3-16-8-10-29(2)23(16)13-19/h3-7,12-15,28H,8-11H2,1-2H3
InChIKeyIJDMRNGRDFQHDZ-UHFFFAOYSA-N
XLogP4.65
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 3775371
n1-(4-Aminobenzenesulfonyl)skatole
CID 10356663

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole?
The IUPAC name of 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole (CID 91464831) is 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole.
What is the SMILES notation for 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole?
The canonical SMILES for 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole is CC1CC(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CC4)c3ccc(C(F)(F)F)cc23)=CCN1.
What is the InChIKey of 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole?
The InChIKey is IJDMRNGRDFQHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2S/c1-15-11-17(7-9-28-15)21-14-30(22-6-4-18(12-20(21)22)24(25,26)27)33(31,32)19-5-3-16-8-10-29(2)23(16)13-19/h3-7,12-15,28H,8-11H2,1-2H3.
What are the key properties of 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole?
1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole has a molecular weight of 475.54 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(2-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-(trifluoromethyl)indole is sourced from PubChem (CID 91464831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).