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

C9H7ClO3S — CID 22119022

IUPAC3-oxo-1,2-dihydroindene-5-sulfonyl chloride
SMILESO=C1CCc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C9H7ClO3S/c10-14(12,13)7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChIKeyLRHGGWRIMQOJLM-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.74
Rot. Bonds1

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

3-oxo-1,2-dihydroindene-5-sulfonyl chloride (PubChem CID 22119022) has the molecular formula C9H7ClO3S and a molecular weight of 230.67 g/mol. Its IUPAC name is 3-oxo-1,2-dihydroindene-5-sulfonyl chloride.

Molecular Properties

Compound Name3-oxo-1,2-dihydroindene-5-sulfonyl chloride
PubChem CID22119022
Molecular FormulaC9H7ClO3S
Molecular Weight230.67 g/mol
Exact Mass229.98
IUPAC Name3-oxo-1,2-dihydroindene-5-sulfonyl chloride
SMILESO=C1CCc2ccc(S(=O)(=O)Cl)cc21
InChIInChI=1S/C9H7ClO3S/c10-14(12,13)7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2
InChIKeyLRHGGWRIMQOJLM-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

Analyze 3-oxo-1,2-dihydroindene-5-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-oxo-1,2-dihydroindene-5-sulfonyl chloride?
The IUPAC name of 3-oxo-1,2-dihydroindene-5-sulfonyl chloride (CID 22119022) is 3-oxo-1,2-dihydroindene-5-sulfonyl chloride.
What is the SMILES notation for 3-oxo-1,2-dihydroindene-5-sulfonyl chloride?
The canonical SMILES for 3-oxo-1,2-dihydroindene-5-sulfonyl chloride is O=C1CCc2ccc(S(=O)(=O)Cl)cc21.
What is the InChIKey of 3-oxo-1,2-dihydroindene-5-sulfonyl chloride?
The InChIKey is LRHGGWRIMQOJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO3S/c10-14(12,13)7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5H,2,4H2.
What are the key properties of 3-oxo-1,2-dihydroindene-5-sulfonyl chloride?
3-oxo-1,2-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 3-oxo-1,2-dihydroindene-5-sulfonyl chloride is sourced from PubChem (CID 22119022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).