2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride

C10H10ClNO3S — CID 99980595

IUPAC2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
SMILESO=C(CS(=O)(=O)Cl)N1CCc2ccccc21
InChIInChI=1S/C10H10ClNO3S/c11-16(14,15)7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2
InChIKeyNLCNAPFYYJLCPA-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.14
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride

2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride (PubChem CID 99980595) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
PubChem CID99980595
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
SMILESO=C(CS(=O)(=O)Cl)N1CCc2ccccc21
InChIInChI=1S/C10H10ClNO3S/c11-16(14,15)7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2
InChIKeyNLCNAPFYYJLCPA-UHFFFAOYSA-N
XLogP1.14
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
3-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370807
3-amino-1-(2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 64686330
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]guanidine
CID 110930545

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride (CID 99980595) is 2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride is O=C(CS(=O)(=O)Cl)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride?
The InChIKey is NLCNAPFYYJLCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c11-16(14,15)7-10(13)12-6-5-8-3-1-2-4-9(8)12/h1-4H,5-7H2.
What are the key properties of 2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride?
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride has a molecular weight of 259.71 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride is sourced from PubChem (CID 99980595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).