7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

C18H18F3N3O3S — CID 4674354

IUPAC7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc2c1N(C(=O)Nc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C18H18F3N3O3S/c1-23(2)28(26,27)15-9-5-6-12-10-11-24(16(12)15)17(25)22-14-8-4-3-7-13(14)18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyIRLZFJOBABUNAO-UHFFFAOYSA-N
MW413.42 g/mol
LogP3.55
Rot. Bonds3

About 7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide

7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (PubChem CID 4674354) has the molecular formula C18H18F3N3O3S and a molecular weight of 413.42 g/mol. Its IUPAC name is 7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
PubChem CID4674354
Molecular FormulaC18H18F3N3O3S
Molecular Weight413.42 g/mol
Exact Mass413.10
IUPAC Name7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
SMILESCN(C)S(=O)(=O)c1cccc2c1N(C(=O)Nc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C18H18F3N3O3S/c1-23(2)28(26,27)15-9-5-6-12-10-11-24(16(12)15)17(25)22-14-8-4-3-7-13(14)18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,25)
InChIKeyIRLZFJOBABUNAO-UHFFFAOYSA-N
XLogP3.55
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2474371
N-[2-fluoro-3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3822630
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 55696935
4,4-dimethyl-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]imidazolidine-1-carboxamide
CID 134115904
1-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 92881373
2-[azepan-1-ylsulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30287064
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 2989364
(2S)-N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 55940266
7-benzamido-N-tert-butyl-2,3-dihydroindole-1-carboxamide
CID 132583260
2-[benzenesulfonyl(methyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 1294778
N-[3-(dimethylamino)-2-ethoxyphenyl]-5-methoxy-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide
CID 67595367
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55498397

Frequently Asked Questions

What is the IUPAC name of 7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide (CID 4674354) is 7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is CN(C)S(=O)(=O)c1cccc2c1N(C(=O)Nc1ccccc1C(F)(F)F)CC2.
What is the InChIKey of 7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is IRLZFJOBABUNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3S/c1-23(2)28(26,27)15-9-5-6-12-10-11-24(16(12)15)17(25)22-14-8-4-3-7-13(14)18(19,20)21/h3-9H,10-11H2,1-2H3,(H,22,25).
What are the key properties of 7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide?
7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 413.42 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 4674354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).