2-cyclopropyl-2-hydroxyethanesulfonyl chloride

C5H9ClO3S — CID 115016816

IUPAC2-cyclopropyl-2-hydroxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(O)C1CC1
InChIInChI=1S/C5H9ClO3S/c6-10(8,9)3-5(7)4-1-2-4/h4-5,7H,1-3H2
InChIKeyZAUMSOMRHAUJGC-UHFFFAOYSA-N
MW184.64 g/mol
LogP0.33
Rot. Bonds3

About 2-cyclopropyl-2-hydroxyethanesulfonyl chloride

2-cyclopropyl-2-hydroxyethanesulfonyl chloride (PubChem CID 115016816) has the molecular formula C5H9ClO3S and a molecular weight of 184.64 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxyethanesulfonyl chloride.

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxyethanesulfonyl chloride
PubChem CID115016816
Molecular FormulaC5H9ClO3S
Molecular Weight184.64 g/mol
Exact Mass184.00
IUPAC Name2-cyclopropyl-2-hydroxyethanesulfonyl chloride
SMILESO=S(=O)(Cl)CC(O)C1CC1
InChIInChI=1S/C5H9ClO3S/c6-10(8,9)3-5(7)4-1-2-4/h4-5,7H,1-3H2
InChIKeyZAUMSOMRHAUJGC-UHFFFAOYSA-N
XLogP0.33
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.64
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxyethanesulfonyl chloride?
The IUPAC name of 2-cyclopropyl-2-hydroxyethanesulfonyl chloride (CID 115016816) is 2-cyclopropyl-2-hydroxyethanesulfonyl chloride.
What is the SMILES notation for 2-cyclopropyl-2-hydroxyethanesulfonyl chloride?
The canonical SMILES for 2-cyclopropyl-2-hydroxyethanesulfonyl chloride is O=S(=O)(Cl)CC(O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-hydroxyethanesulfonyl chloride?
The InChIKey is ZAUMSOMRHAUJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClO3S/c6-10(8,9)3-5(7)4-1-2-4/h4-5,7H,1-3H2.
What are the key properties of 2-cyclopropyl-2-hydroxyethanesulfonyl chloride?
2-cyclopropyl-2-hydroxyethanesulfonyl chloride has a molecular weight of 184.64 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxyethanesulfonyl chloride is sourced from PubChem (CID 115016816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).