1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

C16H21BrN2O3S — CID 126478749

IUPAC1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCC3C)c21
InChIInChI=1S/C16H21BrN2O3S/c1-11-5-3-4-7-19(11)23(21,22)15-10-14(17)9-13-6-8-18(12(2)20)16(13)15/h9-11H,3-8H2,1-2H3
InChIKeyWULKLGSEVXLVHR-UHFFFAOYSA-N
MW401.33 g/mol
LogP2.92
Rot. Bonds2

About 1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 126478749) has the molecular formula C16H21BrN2O3S and a molecular weight of 401.33 g/mol. Its IUPAC name is 1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID126478749
Molecular FormulaC16H21BrN2O3S
Molecular Weight401.33 g/mol
Exact Mass400.05
IUPAC Name1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCC3C)c21
InChIInChI=1S/C16H21BrN2O3S/c1-11-5-3-4-7-19(11)23(21,22)15-10-14(17)9-13-6-8-18(12(2)20)16(13)15/h9-11H,3-8H2,1-2H3
InChIKeyWULKLGSEVXLVHR-UHFFFAOYSA-N
XLogP2.92
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone 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-[5-bromo-2-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 4136249
1-[5-bromo-7-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 51548468
1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
CID 45156700
1-(2,5-dibromophenyl)sulfonyl-2-methylpiperidine
CID 5025166
1-(5-bromo-2-methylphenyl)sulfonyl-2-methylpiperidine
CID 2873404
1-[5-bromo-7-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 3324791
1-[5-bromo-7-(2-thiophen-2-ylpyrrolidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 20895694
1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(2,5-dimethylphenyl)-N-methylpiperidine-4-carboxamide
CID 15988989
1-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 22429087
(3R)-1-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidine-3-carboxamide
CID 129419698
1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 126478749) is 1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCC3C)c21.
What is the InChIKey of 1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is WULKLGSEVXLVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O3S/c1-11-5-3-4-7-19(11)23(21,22)15-10-14(17)9-13-6-8-18(12(2)20)16(13)15/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 401.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 126478749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).