2,3-dihydro-1H-indene-5-sulfonyl chloride

C9H9ClO2S — CID 3142583

IUPAC2,3-dihydro-1H-indene-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C9H9ClO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
InChIKeySWLIXMXSCZYVTQ-UHFFFAOYSA-N
MW216.69 g/mol
LogP2.10
Rot. Bonds1

About 2,3-dihydro-1H-indene-5-sulfonyl chloride

2,3-dihydro-1H-indene-5-sulfonyl chloride (PubChem CID 3142583) has the molecular formula C9H9ClO2S and a molecular weight of 216.69 g/mol. Its IUPAC name is 2,3-dihydro-1H-indene-5-sulfonyl chloride.

Molecular Properties

Compound Name2,3-dihydro-1H-indene-5-sulfonyl chloride
PubChem CID3142583
Molecular FormulaC9H9ClO2S
Molecular Weight216.69 g/mol
Exact Mass216.00
IUPAC Name2,3-dihydro-1H-indene-5-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C9H9ClO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
InChIKeySWLIXMXSCZYVTQ-UHFFFAOYSA-N
XLogP2.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.69
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indene-5-sulfonyl chloride?
The IUPAC name of 2,3-dihydro-1H-indene-5-sulfonyl chloride (CID 3142583) is 2,3-dihydro-1H-indene-5-sulfonyl chloride.
What is the SMILES notation for 2,3-dihydro-1H-indene-5-sulfonyl chloride?
The canonical SMILES for 2,3-dihydro-1H-indene-5-sulfonyl chloride is O=S(=O)(Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of 2,3-dihydro-1H-indene-5-sulfonyl chloride?
The InChIKey is SWLIXMXSCZYVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2S/c10-13(11,12)9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2.
What are the key properties of 2,3-dihydro-1H-indene-5-sulfonyl chloride?
2,3-dihydro-1H-indene-5-sulfonyl chloride has a molecular weight of 216.69 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indene-5-sulfonyl chloride is sourced from PubChem (CID 3142583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).