1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide

C10H11BrN2O3S — CID 55151149

IUPAC1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Br)c(S(N)(=O)=O)cc21
InChIInChI=1S/C10H11BrN2O3S/c1-6(14)13-3-2-7-4-8(11)10(5-9(7)13)17(12,15)16/h4-5H,2-3H2,1H3,(H2,12,15,16)
InChIKeyASRYZMNMTDZOJB-UHFFFAOYSA-N
MW319.18 g/mol
LogP1.01
Rot. Bonds1

About 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide

1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide (PubChem CID 55151149) has the molecular formula C10H11BrN2O3S and a molecular weight of 319.18 g/mol. Its IUPAC name is 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
PubChem CID55151149
Molecular FormulaC10H11BrN2O3S
Molecular Weight319.18 g/mol
Exact Mass317.97
IUPAC Name1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Br)c(S(N)(=O)=O)cc21
InChIInChI=1S/C10H11BrN2O3S/c1-6(14)13-3-2-7-4-8(11)10(5-9(7)13)17(12,15)16/h4-5H,2-3H2,1H3,(H2,12,15,16)
InChIKeyASRYZMNMTDZOJB-UHFFFAOYSA-N
XLogP1.01
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
CID 161326108
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 46503628
1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 59468850
1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide
CID 46503650
(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
CID 145018684
1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46374657
1-(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)propan-1-one
CID 43164765
methyl (2S)-2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]-3-phenylpropanoate
CID 118906193
ethyl 2-[1-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]cyclohexyl]acetate
CID 46374660
ethyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]benzoate
CID 46504139

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide (CID 55151149) is 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide is CC(=O)N1CCc2cc(Br)c(S(N)(=O)=O)cc21.
What is the InChIKey of 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide?
The InChIKey is ASRYZMNMTDZOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O3S/c1-6(14)13-3-2-7-4-8(11)10(5-9(7)13)17(12,15)16/h4-5H,2-3H2,1H3,(H2,12,15,16).
What are the key properties of 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide?
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide has a molecular weight of 319.18 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 55151149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).