1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole

C17H17F2NO2S — CID 112803274

IUPAC1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H17F2NO2S/c1-12-10-14-4-2-3-5-16(14)20(12)11-13-6-8-15(9-7-13)23(21,22)17(18)19/h2-9,12,17H,10-11H2,1H3
InChIKeyDAOTYDRKOUIWFI-UHFFFAOYSA-N
MW337.39 g/mol
LogP3.63
Rot. Bonds4

About 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole

1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole (PubChem CID 112803274) has the molecular formula C17H17F2NO2S and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole
PubChem CID112803274
Molecular FormulaC17H17F2NO2S
Molecular Weight337.39 g/mol
Exact Mass337.09
IUPAC Name1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1Cc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C17H17F2NO2S/c1-12-10-14-4-2-3-5-16(14)20(12)11-13-6-8-15(9-7-13)23(21,22)17(18)19/h2-9,12,17H,10-11H2,1H3
InChIKeyDAOTYDRKOUIWFI-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199928
2-methyl-1-[(4-methylsulfanylphenyl)methyl]-2,3-dihydroindole
CID 173088754
N-methyl-1-[4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 62423502
2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole
CID 22199925
(2R)-1-[(4-chlorophenyl)methyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 34918356
2-(2-methyl-2,3-dihydroindol-1-yl)-1-(4-methylsulfonylphenyl)ethanol
CID 110897176
1-benzyl-2-(difluoromethyl)-2,3-dihydroindole
CID 22629636
1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydroindole
CID 22199924
[5-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62244249
[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]phenyl]methanamine
CID 18071187
(2S)-1-benzyl-2,3-dihydroindole-2-carbaldehyde
CID 59912246
N-[3-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propyl]methanesulfonamide
CID 94200081

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole?
The IUPAC name of 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole (CID 112803274) is 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1Cc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole?
The InChIKey is DAOTYDRKOUIWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO2S/c1-12-10-14-4-2-3-5-16(14)20(12)11-13-6-8-15(9-7-13)23(21,22)17(18)19/h2-9,12,17H,10-11H2,1H3.
What are the key properties of 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole?
1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole has a molecular weight of 337.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethylsulfonyl)phenyl]methyl]-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 112803274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).