1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride

C20H20Br2ClN3O6S2 — CID 161326108

IUPAC1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
SMILESCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Cl)cc21.CC(=O)N1CCc2cc(Br)c(S(N)(=O)=O)cc21
InChIInChI=1S/C10H9BrClNO3S.C10H11BrN2O3S/c2*1-6(14)13-3-2-7-4-8(11)10(5-9(7)13)17(12,15)16/h4-5H,2-3H2,1H3;4-5H,2-3H2,1H3,(H2,12,15,16)
InChIKeyVKUCTSGFMAMKKL-UHFFFAOYSA-N
MW657.79 g/mol
LogP3.29
Rot. Bonds2

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

1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride (PubChem CID 161326108) has the molecular formula C20H20Br2ClN3O6S2 and a molecular weight of 657.79 g/mol. Its IUPAC name is 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride.

Molecular Properties

Compound Name1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
PubChem CID161326108
Molecular FormulaC20H20Br2ClN3O6S2
Molecular Weight657.79 g/mol
Exact Mass654.88
IUPAC Name1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
SMILESCC(=O)N1CCc2cc(Br)c(S(=O)(=O)Cl)cc21.CC(=O)N1CCc2cc(Br)c(S(N)(=O)=O)cc21
InChIInChI=1S/C10H9BrClNO3S.C10H11BrN2O3S/c2*1-6(14)13-3-2-7-4-8(11)10(5-9(7)13)17(12,15)16/h4-5H,2-3H2,1H3;4-5H,2-3H2,1H3,(H2,12,15,16)
InChIKeyVKUCTSGFMAMKKL-UHFFFAOYSA-N
XLogP3.29
TPSA134.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500657.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
(1-acetyl-5-bromo-2,3-dihydroindol-6-yl) thiohypochlorite
CID 145018684
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
CID 45156700
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-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46374657
2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 46248416
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

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride?
The IUPAC name of 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride (CID 161326108) is 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride.
What is the SMILES notation for 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride?
The canonical SMILES for 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride is CC(=O)N1CCc2cc(Br)c(S(=O)(=O)Cl)cc21.CC(=O)N1CCc2cc(Br)c(S(N)(=O)=O)cc21.
What is the InChIKey of 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride?
The InChIKey is VKUCTSGFMAMKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO3S.C10H11BrN2O3S/c2*1-6(14)13-3-2-7-4-8(11)10(5-9(7)13)17(12,15)16/h4-5H,2-3H2,1H3;4-5H,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-sulfonyl chloride?
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride has a molecular weight of 657.79 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride is sourced from PubChem (CID 161326108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).