2,3-dihydro-1H-isoindole-1-sulfonyl chloride

C8H8ClNO2S — CID 174934831

IUPAC2,3-dihydro-1H-isoindole-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1NCc2ccccc21
InChIInChI=1S/C8H8ClNO2S/c9-13(11,12)8-7-4-2-1-3-6(7)5-10-8/h1-4,8,10H,5H2
InChIKeyMMHOYMQSLIOQST-UHFFFAOYSA-N
MW217.68 g/mol
LogP1.36
Rot. Bonds1

About 2,3-dihydro-1H-isoindole-1-sulfonyl chloride

2,3-dihydro-1H-isoindole-1-sulfonyl chloride (PubChem CID 174934831) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole-1-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole-1-sulfonyl chloride
PubChem CID174934831
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name2,3-dihydro-1H-isoindole-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1NCc2ccccc21
InChIInChI=1S/C8H8ClNO2S/c9-13(11,12)8-7-4-2-1-3-6(7)5-10-8/h1-4,8,10H,5H2
InChIKeyMMHOYMQSLIOQST-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
(1S)-1-fluoro-2,3-dihydro-1H-isoindole
CID 97110854
1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731755
2,3-dihydro-1H-isoindole-1-sulfonamide;1-ethyl-2,3-dihydroindole
CID 161266048
1-(2,3-dihydro-1H-isoindol-1-yl)-2-methylpropan-1-one
CID 166510836
(2aS,8bR)-2a,3,4,8b-tetrahydro-1H-azeto[3,2-c]isoquinolin-2-one
CID 139094638
(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445
(1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline
CID 135278031
(1R)-1-tert-butyl-2,3-dihydro-1H-isoindole
CID 139332278
6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride
CID 62084728
2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
CID 89299506
1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride
CID 164654698

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindole-1-sulfonyl chloride?
The IUPAC name of 2,3-dihydro-1H-isoindole-1-sulfonyl chloride (CID 174934831) is 2,3-dihydro-1H-isoindole-1-sulfonyl chloride.
What is the SMILES notation for 2,3-dihydro-1H-isoindole-1-sulfonyl chloride?
The canonical SMILES for 2,3-dihydro-1H-isoindole-1-sulfonyl chloride is O=S(=O)(Cl)C1NCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-isoindole-1-sulfonyl chloride?
The InChIKey is MMHOYMQSLIOQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c9-13(11,12)8-7-4-2-1-3-6(7)5-10-8/h1-4,8,10H,5H2.
What are the key properties of 2,3-dihydro-1H-isoindole-1-sulfonyl chloride?
2,3-dihydro-1H-isoindole-1-sulfonyl chloride has a molecular weight of 217.68 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole-1-sulfonyl chloride is sourced from PubChem (CID 174934831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).