(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride

C11H12ClNO3S — CID 84713660

IUPAC(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
SMILESCC(=O)N1CCc2c(CS(=O)(=O)Cl)cccc21
InChIInChI=1S/C11H12ClNO3S/c1-8(14)13-6-5-10-9(7-17(12,15)16)3-2-4-11(10)13/h2-4H,5-7H2,1H3
InChIKeyNPSVUJYATXYTDF-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.66
Rot. Bonds2

About (1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride

(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride (PubChem CID 84713660) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is (1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
PubChem CID84713660
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride
SMILESCC(=O)N1CCc2c(CS(=O)(=O)Cl)cccc21
InChIInChI=1S/C11H12ClNO3S/c1-8(14)13-6-5-10-9(7-17(12,15)16)3-2-4-11(10)13/h2-4H,5-7H2,1H3
InChIKeyNPSVUJYATXYTDF-UHFFFAOYSA-N
XLogP1.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1-aminocyclopropyl)methyl]-2,3-dihydroindol-1-yl]ethanone
CID 117332900
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 82506712
1-(4-amino-2,3-dihydroindol-1-yl)ethanone
CID 13236630
1-acetyl-2,3-dihydroindole-4-carbonitrile
CID 82655574
1-(7-ethyl-2,3-dihydroindol-1-yl)ethanone
CID 101108036
2-(1-benzoyl-2,3-dihydroindol-4-yl)acetic acid
CID 58765445
1-[4-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014569
2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide
CID 58765450
1-[4-(hydroxymethyl)-2,3-dihydroindol-1-yl]-2-(methylamino)ethanone
CID 121204163
1-[4-(1-aminocyclopentyl)-2,3-dihydroindol-1-yl]ethanone
CID 117362996
3-amino-1-[4-(methoxymethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 121204186

Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride?
The IUPAC name of (1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride (CID 84713660) is (1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride?
The canonical SMILES for (1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride is CC(=O)N1CCc2c(CS(=O)(=O)Cl)cccc21.
What is the InChIKey of (1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride?
The InChIKey is NPSVUJYATXYTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c1-8(14)13-6-5-10-9(7-17(12,15)16)3-2-4-11(10)13/h2-4H,5-7H2,1H3.
What are the key properties of (1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride?
(1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride has a molecular weight of 273.74 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-2,3-dihydroindol-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 84713660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).