6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole

C17H19F2NO2S — CID 171650185

IUPAC6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole
SMILESCc1ccc(S(=O)(=O)n2ccc3c2CC(C(C)(F)F)CC3)cc1
InChIInChI=1S/C17H19F2NO2S/c1-12-3-7-15(8-4-12)23(21,22)20-10-9-13-5-6-14(11-16(13)20)17(2,18)19/h3-4,7-10,14H,5-6,11H2,1-2H3
InChIKeyOCKXTNJQWYHJFN-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.79
Rot. Bonds3

About 6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole

6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole (PubChem CID 171650185) has the molecular formula C17H19F2NO2S and a molecular weight of 339.41 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole
PubChem CID171650185
Molecular FormulaC17H19F2NO2S
Molecular Weight339.41 g/mol
Exact Mass339.11
IUPAC Name6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole
SMILESCc1ccc(S(=O)(=O)n2ccc3c2CC(C(C)(F)F)CC3)cc1
InChIInChI=1S/C17H19F2NO2S/c1-12-3-7-15(8-4-12)23(21,22)20-10-9-13-5-6-14(11-16(13)20)17(2,18)19/h3-4,7-10,14H,5-6,11H2,1-2H3
InChIKeyOCKXTNJQWYHJFN-UHFFFAOYSA-N
XLogP3.79
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole 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-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole-6-carboxamide
CID 171650264
(6R)-6-(difluoromethyl)-6-methoxy-1-(4-methylphenyl)sulfonyl-5,7-dihydro-4H-indole
CID 177334257
N-(4-cyano-2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-6-(trifluoromethyl)-4,5,6,7-tetrahydroindole-3-sulfonamide
CID 171649902
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
(2R)-1-(4-methylphenyl)sulfonyl-2-(trifluoromethyl)aziridine
CID 11448470
5-methyl-1-(4-methylphenyl)sulfonylspiro[4,5,6,8-tetrahydropyrrolo[2,3-b]azepine-7,1'-cyclopropane]
CID 155050594
2-[1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindol-4-yl]-2-pyrrolidin-1-ylacetaldehyde
CID 87974669
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
3-tert-butyl-1-(4-methylphenyl)sulfonylazepane
CID 171769023
(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 903484
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
4-methyl-1-(4-methylphenyl)sulfonyl-2,3,6,7-tetrahydroazepine
CID 67224813

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole?
The IUPAC name of 6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole (CID 171650185) is 6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole?
The canonical SMILES for 6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole is Cc1ccc(S(=O)(=O)n2ccc3c2CC(C(C)(F)F)CC3)cc1.
What is the InChIKey of 6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole?
The InChIKey is OCKXTNJQWYHJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2NO2S/c1-12-3-7-15(8-4-12)23(21,22)20-10-9-13-5-6-14(11-16(13)20)17(2,18)19/h3-4,7-10,14H,5-6,11H2,1-2H3.
What are the key properties of 6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole?
6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole has a molecular weight of 339.41 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-1-(4-methylphenyl)sulfonyl-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 171650185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).