2-chlorocyclopentane-1-sulfonic acid

C5H9ClO3S — CID 23054186

IUPAC2-chlorocyclopentane-1-sulfonic acid
SMILESO=S(=O)(O)C1CCCC1Cl
InChIInChI=1S/C5H9ClO3S/c6-4-2-1-3-5(4)10(7,8)9/h4-5H,1-3H2,(H,7,8,9)
InChIKeyVKTGWAPTAARROE-UHFFFAOYSA-N
MW184.64 g/mol
LogP1.03
Rot. Bonds1

About 2-chlorocyclopentane-1-sulfonic acid

2-chlorocyclopentane-1-sulfonic acid (PubChem CID 23054186) has the molecular formula C5H9ClO3S and a molecular weight of 184.64 g/mol. Its IUPAC name is 2-chlorocyclopentane-1-sulfonic acid.

Molecular Properties

Compound Name2-chlorocyclopentane-1-sulfonic acid
PubChem CID23054186
Molecular FormulaC5H9ClO3S
Molecular Weight184.64 g/mol
Exact Mass184.00
IUPAC Name2-chlorocyclopentane-1-sulfonic acid
SMILESO=S(=O)(O)C1CCCC1Cl
InChIInChI=1S/C5H9ClO3S/c6-4-2-1-3-5(4)10(7,8)9/h4-5H,1-3H2,(H,7,8,9)
InChIKeyVKTGWAPTAARROE-UHFFFAOYSA-N
XLogP1.03
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chlorocyclopentane-1-sulfonic acid?
The IUPAC name of 2-chlorocyclopentane-1-sulfonic acid (CID 23054186) is 2-chlorocyclopentane-1-sulfonic acid.
What is the SMILES notation for 2-chlorocyclopentane-1-sulfonic acid?
The canonical SMILES for 2-chlorocyclopentane-1-sulfonic acid is O=S(=O)(O)C1CCCC1Cl.
What is the InChIKey of 2-chlorocyclopentane-1-sulfonic acid?
The InChIKey is VKTGWAPTAARROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3S/c6-4-2-1-3-5(4)10(7,8)9/h4-5H,1-3H2,(H,7,8,9).
What are the key properties of 2-chlorocyclopentane-1-sulfonic acid?
2-chlorocyclopentane-1-sulfonic acid has a molecular weight of 184.64 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorocyclopentane-1-sulfonic acid is sourced from PubChem (CID 23054186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).