1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole

C14H10Cl3NO2S — CID 50876146

IUPAC1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCc2ccccc21
InChIInChI=1S/C14H10Cl3NO2S/c15-10-5-6-12(14(17)13(10)16)21(19,20)18-8-7-9-3-1-2-4-11(9)18/h1-6H,7-8H2
InChIKeyLKEJGBLAVGHLGA-UHFFFAOYSA-N
MW362.67 g/mol
LogP4.40
Rot. Bonds2

About 1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole

1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole (PubChem CID 50876146) has the molecular formula C14H10Cl3NO2S and a molecular weight of 362.67 g/mol. Its IUPAC name is 1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole
PubChem CID50876146
Molecular FormulaC14H10Cl3NO2S
Molecular Weight362.67 g/mol
Exact Mass360.95
IUPAC Name1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCc2ccccc21
InChIInChI=1S/C14H10Cl3NO2S/c15-10-5-6-12(14(17)13(10)16)21(19,20)18-8-7-9-3-1-2-4-11(9)18/h1-6H,7-8H2
InChIKeyLKEJGBLAVGHLGA-UHFFFAOYSA-N
XLogP4.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.67
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(2,3,4-trichlorophenyl)sulfonyl-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

[4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 2083506
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 2129442
4-chloro-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 8831578
[(2R)-3-oxobutan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 9274404
[(2S)-1-amino-1-oxopropan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2605283
N-(2-benzamidoethyl)-4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 38202745
[(2S)-1-(dimethylamino)-1-oxopropan-2-yl] 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 93274371
2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenol
CID 81233664
naphthalen-2-yl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 4599470
propyl 4-chloro-3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 24530655
1-(3-chloro-4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 974280
1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole
CID 54895623

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole (CID 50876146) is 1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole is O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is LKEJGBLAVGHLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3NO2S/c15-10-5-6-12(14(17)13(10)16)21(19,20)18-8-7-9-3-1-2-4-11(9)18/h1-6H,7-8H2.
What are the key properties of 1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole?
1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 362.67 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trichlorophenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 50876146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).