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

C10H10ClNO3S — CID 14024596

IUPAC1-acetyl-2,3-dihydroindole-5-sulfonyl chloride
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C10H10ClNO3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3
InChIKeyQNFXLCHANYHGIF-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.52
Rot. Bonds1

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

1-acetyl-2,3-dihydroindole-5-sulfonyl chloride (PubChem CID 14024596) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride.

Molecular Properties

Compound Name1-acetyl-2,3-dihydroindole-5-sulfonyl chloride
PubChem CID14024596
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name1-acetyl-2,3-dihydroindole-5-sulfonyl chloride
SMILESCC(=O)N1CCc2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C10H10ClNO3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3
InChIKeyQNFXLCHANYHGIF-UHFFFAOYSA-N
XLogP1.52
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
1-methyl-2-oxo-N-(2-phenylethyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 1511494
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
1-{5-[(2-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one
CID 3597234
1-(2-Methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 3673453
1-Acetyl-5-(morpholin-4-ylsulfonyl)indoline
CID 866906
N-ethyl-N-(3-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3235643
2-[(1-propionyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 3245309
1-[5-(Azepan-1-ylsulfonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 4198453
N-(4-methylbenzyl)-1-propionylindoline-5-sulfonamide
CID 15990558
1-[5-[4-(2,5-Dimethylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]propan-1-one
CID 20851693

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride?
The IUPAC name of 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride (CID 14024596) is 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride.
What is the SMILES notation for 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride?
The canonical SMILES for 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride is CC(=O)N1CCc2cc(S(=O)(=O)Cl)ccc21.
What is the InChIKey of 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride?
The InChIKey is QNFXLCHANYHGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c1-7(13)12-5-4-8-6-9(16(11,14)15)2-3-10(8)12/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride?
1-acetyl-2,3-dihydroindole-5-sulfonyl chloride has a molecular weight of 259.71 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,3-dihydroindole-5-sulfonyl chloride is sourced from PubChem (CID 14024596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).