2-hydroxypropane-1-sulfonyl chloride

C3H7ClO3S — CID 3019706

IUPAC2-hydroxypropane-1-sulfonyl chloride
SMILESCC(O)CS(=O)(=O)Cl
InChIInChI=1S/C3H7ClO3S/c1-3(5)2-8(4,6)7/h3,5H,2H2,1H3
InChIKeyXLETZVSHHPTZBK-UHFFFAOYSA-N
MW158.61 g/mol
LogP-0.06
Rot. Bonds2

About 2-hydroxypropane-1-sulfonyl chloride

2-hydroxypropane-1-sulfonyl chloride (PubChem CID 3019706) has the molecular formula C3H7ClO3S and a molecular weight of 158.61 g/mol. Its IUPAC name is 2-hydroxypropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-hydroxypropane-1-sulfonyl chloride
PubChem CID3019706
Molecular FormulaC3H7ClO3S
Molecular Weight158.61 g/mol
Exact Mass157.98
IUPAC Name2-hydroxypropane-1-sulfonyl chloride
SMILESCC(O)CS(=O)(=O)Cl
InChIInChI=1S/C3H7ClO3S/c1-3(5)2-8(4,6)7/h3,5H,2H2,1H3
InChIKeyXLETZVSHHPTZBK-UHFFFAOYSA-N
XLogP-0.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.61
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxypropane-1-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 2-hydroxypropane-1-sulfonyl chloride?
The IUPAC name of 2-hydroxypropane-1-sulfonyl chloride (CID 3019706) is 2-hydroxypropane-1-sulfonyl chloride.
What is the SMILES notation for 2-hydroxypropane-1-sulfonyl chloride?
The canonical SMILES for 2-hydroxypropane-1-sulfonyl chloride is CC(O)CS(=O)(=O)Cl.
What is the InChIKey of 2-hydroxypropane-1-sulfonyl chloride?
The InChIKey is XLETZVSHHPTZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7ClO3S/c1-3(5)2-8(4,6)7/h3,5H,2H2,1H3.
What are the key properties of 2-hydroxypropane-1-sulfonyl chloride?
2-hydroxypropane-1-sulfonyl chloride has a molecular weight of 158.61 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropane-1-sulfonyl chloride is sourced from PubChem (CID 3019706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).