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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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).