4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide

C22H27BrN2O3S — CID 133239352

IUPAC4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2c3ccc(Br)cc3CC2C)cc1
InChIInChI=1S/C22H27BrN2O3S/c1-4-24(5-2)29(27,28)20-10-6-17(7-11-20)8-13-22(26)25-16(3)14-18-15-19(23)9-12-21(18)25/h6-7,9-12,15-16H,4-5,8,13-14H2,1-3H3
InChIKeyLJLMXQFSAIDYEL-UHFFFAOYSA-N
MW479.44 g/mol
LogP4.39
Rot. Bonds7

About 4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide

4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide (PubChem CID 133239352) has the molecular formula C22H27BrN2O3S and a molecular weight of 479.44 g/mol. Its IUPAC name is 4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide
PubChem CID133239352
Molecular FormulaC22H27BrN2O3S
Molecular Weight479.44 g/mol
Exact Mass478.09
IUPAC Name4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2c3ccc(Br)cc3CC2C)cc1
InChIInChI=1S/C22H27BrN2O3S/c1-4-24(5-2)29(27,28)20-10-6-17(7-11-20)8-13-22(26)25-16(3)14-18-15-19(23)9-12-21(18)25/h6-7,9-12,15-16H,4-5,8,13-14H2,1-3H3
InChIKeyLJLMXQFSAIDYEL-UHFFFAOYSA-N
XLogP4.39
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide 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

N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-ethylbenzenesulfonamide
CID 125049221
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-[(4-chlorophenyl)methyl]benzenesulfonamide
CID 133179804
N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 100789986
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 133179670
N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-chloro-N-(2-phenylethyl)benzenesulfonamide
CID 133179694
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(3,4-dichlorophenyl)methyl]benzenesulfonamide
CID 100790490
N-benzyl-N-[2-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-ethoxybenzenesulfonamide
CID 100797676
4-bromo-N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-N-cyclohexylbenzenesulfonamide
CID 100790806
N-benzyl-N-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 133180012
N-[2-[(2R)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-4-chloro-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 125063204
1-[(2S)-5-bromo-2-methyl-2,3-dihydroindol-1-yl]-2-[dimethylsulfamoyl(methyl)amino]ethanone
CID 100784868
N,N-diethyl-4-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 134008436

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide (CID 133239352) is 4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2c3ccc(Br)cc3CC2C)cc1.
What is the InChIKey of 4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide?
The InChIKey is LJLMXQFSAIDYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN2O3S/c1-4-24(5-2)29(27,28)20-10-6-17(7-11-20)8-13-22(26)25-16(3)14-18-15-19(23)9-12-21(18)25/h6-7,9-12,15-16H,4-5,8,13-14H2,1-3H3.
What are the key properties of 4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide?
4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide has a molecular weight of 479.44 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 133239352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).