3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

C24H21F3N2O4S — CID 38072835

IUPAC3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H21F3N2O4S/c1-28(16-19-8-3-5-12-22(19)33-24(25,26)27)23(30)18-9-6-10-20(15-18)34(31,32)29-14-13-17-7-2-4-11-21(17)29/h2-12,15H,13-14,16H2,1H3
InChIKeyVHKLWTRTEWTZJD-UHFFFAOYSA-N
MW490.50 g/mol
LogP4.61
Rot. Bonds6

About 3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 38072835) has the molecular formula C24H21F3N2O4S and a molecular weight of 490.50 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID38072835
Molecular FormulaC24H21F3N2O4S
Molecular Weight490.50 g/mol
Exact Mass490.12
IUPAC Name3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C24H21F3N2O4S/c1-28(16-19-8-3-5-12-22(19)33-24(25,26)27)23(30)18-9-6-10-20(15-18)34(31,32)29-14-13-17-7-2-4-11-21(17)29/h2-12,15H,13-14,16H2,1H3
InChIKeyVHKLWTRTEWTZJD-UHFFFAOYSA-N
XLogP4.61
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-3-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
CID 2556240
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55415750
3-(dimethylsulfamoyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 38072733
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylbenzamide
CID 31916684
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 134057952
3-bromo-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 52560868
3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 56504051
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
N,2-dimethyl-1-methylsulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 46420837
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
N-cyclopentyl-3-(2,3-dihydroindol-1-ylsulfonyl)-N-propan-2-ylbenzamide
CID 56517187

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide (CID 38072835) is 3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is VHKLWTRTEWTZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O4S/c1-28(16-19-8-3-5-12-22(19)33-24(25,26)27)23(30)18-9-6-10-20(15-18)34(31,32)29-14-13-17-7-2-4-11-21(17)29/h2-12,15H,13-14,16H2,1H3.
What are the key properties of 3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide?
3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 490.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-ylsulfonyl)-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 38072835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).