1-oxo-2,3-dihydroindene-5-sulfonyl chloride

C9H7ClO3S — CID 14815961

IUPAC1-oxo-2,3-dihydroindene-5-sulfonyl chloride
SMILESO=C1CCc2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C9H7ClO3S/c10-14(12,13)7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKeyNJSUBYHQKUOESQ-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.74
Rot. Bonds1

About 1-oxo-2,3-dihydroindene-5-sulfonyl chloride

1-oxo-2,3-dihydroindene-5-sulfonyl chloride (PubChem CID 14815961) has the molecular formula C9H7ClO3S and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-oxo-2,3-dihydroindene-5-sulfonyl chloride.

Molecular Properties

Compound Name1-oxo-2,3-dihydroindene-5-sulfonyl chloride
PubChem CID14815961
Molecular FormulaC9H7ClO3S
Molecular Weight230.67 g/mol
Exact Mass229.98
IUPAC Name1-oxo-2,3-dihydroindene-5-sulfonyl chloride
SMILESO=C1CCc2cc(S(=O)(=O)Cl)ccc21
InChIInChI=1S/C9H7ClO3S/c10-14(12,13)7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
InChIKeyNJSUBYHQKUOESQ-UHFFFAOYSA-N
XLogP1.74
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-oxo-2,3-dihydroindene-5-sulfonyl chloride?
The IUPAC name of 1-oxo-2,3-dihydroindene-5-sulfonyl chloride (CID 14815961) is 1-oxo-2,3-dihydroindene-5-sulfonyl chloride.
What is the SMILES notation for 1-oxo-2,3-dihydroindene-5-sulfonyl chloride?
The canonical SMILES for 1-oxo-2,3-dihydroindene-5-sulfonyl chloride is O=C1CCc2cc(S(=O)(=O)Cl)ccc21.
What is the InChIKey of 1-oxo-2,3-dihydroindene-5-sulfonyl chloride?
The InChIKey is NJSUBYHQKUOESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO3S/c10-14(12,13)7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2.
What are the key properties of 1-oxo-2,3-dihydroindene-5-sulfonyl chloride?
1-oxo-2,3-dihydroindene-5-sulfonyl chloride has a molecular weight of 230.67 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-2,3-dihydroindene-5-sulfonyl chloride is sourced from PubChem (CID 14815961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).