1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride

C10H9BrClNO3S — CID 45156700

IUPAC1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
SMILESCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Cl)c21
InChIInChI=1S/C10H9BrClNO3S/c1-6(14)13-3-2-7-4-8(11)5-9(10(7)13)17(12,15)16/h4-5H,2-3H2,1H3
InChIKeyOCQLARLEGOFXFN-UHFFFAOYSA-N
MW338.61 g/mol
LogP2.29
Rot. Bonds1

About 1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride

1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride (PubChem CID 45156700) has the molecular formula C10H9BrClNO3S and a molecular weight of 338.61 g/mol. Its IUPAC name is 1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride.

Molecular Properties

Compound Name1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
PubChem CID45156700
Molecular FormulaC10H9BrClNO3S
Molecular Weight338.61 g/mol
Exact Mass336.92
IUPAC Name1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
SMILESCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Cl)c21
InChIInChI=1S/C10H9BrClNO3S/c1-6(14)13-3-2-7-4-8(11)5-9(10(7)13)17(12,15)16/h4-5H,2-3H2,1H3
InChIKeyOCQLARLEGOFXFN-UHFFFAOYSA-N
XLogP2.29
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.61
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide
CID 3267786
1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295
1-[5-bromo-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 126478749
1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 15992883
1-acetyl-5-bromo-N-(2-bromo-4-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 22421372
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide
CID 4247906
1-acetyl-5-bromo-N-(3-methylsulfanylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 3419542
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-1-morpholin-4-ylpropan-1-one
CID 2052772
1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide
CID 126478790
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
CID 161326108
1-acetyl-5-bromo-N-(1,4,7-trimethyl-2,3-dioxoquinoxalin-6-yl)-2,3-dihydroindole-7-sulfonamide
CID 20944508
1-[5-bromo-7-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 51548468

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride?
The IUPAC name of 1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride (CID 45156700) is 1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride.
What is the SMILES notation for 1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride?
The canonical SMILES for 1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride is CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)Cl)c21.
What is the InChIKey of 1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride?
The InChIKey is OCQLARLEGOFXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClNO3S/c1-6(14)13-3-2-7-4-8(11)5-9(10(7)13)17(12,15)16/h4-5H,2-3H2,1H3.
What are the key properties of 1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride?
1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride has a molecular weight of 338.61 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride is sourced from PubChem (CID 45156700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).