4-methoxybutane-2-sulfonyl chloride

C5H11ClO3S — CID 62084725

IUPAC4-methoxybutane-2-sulfonyl chloride
SMILESCOCCC(C)S(=O)(=O)Cl
InChIInChI=1S/C5H11ClO3S/c1-5(3-4-9-2)10(6,7)8/h5H,3-4H2,1-2H3
InChIKeyJSEBKXSMYTWRIE-UHFFFAOYSA-N
MW186.66 g/mol
LogP0.98
Rot. Bonds4

About 4-methoxybutane-2-sulfonyl chloride

4-methoxybutane-2-sulfonyl chloride (PubChem CID 62084725) has the molecular formula C5H11ClO3S and a molecular weight of 186.66 g/mol. Its IUPAC name is 4-methoxybutane-2-sulfonyl chloride.

Molecular Properties

Compound Name4-methoxybutane-2-sulfonyl chloride
PubChem CID62084725
Molecular FormulaC5H11ClO3S
Molecular Weight186.66 g/mol
Exact Mass186.01
IUPAC Name4-methoxybutane-2-sulfonyl chloride
SMILESCOCCC(C)S(=O)(=O)Cl
InChIInChI=1S/C5H11ClO3S/c1-5(3-4-9-2)10(6,7)8/h5H,3-4H2,1-2H3
InChIKeyJSEBKXSMYTWRIE-UHFFFAOYSA-N
XLogP0.98
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybutane-2-sulfonyl chloride?
The IUPAC name of 4-methoxybutane-2-sulfonyl chloride (CID 62084725) is 4-methoxybutane-2-sulfonyl chloride.
What is the SMILES notation for 4-methoxybutane-2-sulfonyl chloride?
The canonical SMILES for 4-methoxybutane-2-sulfonyl chloride is COCCC(C)S(=O)(=O)Cl.
What is the InChIKey of 4-methoxybutane-2-sulfonyl chloride?
The InChIKey is JSEBKXSMYTWRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO3S/c1-5(3-4-9-2)10(6,7)8/h5H,3-4H2,1-2H3.
What are the key properties of 4-methoxybutane-2-sulfonyl chloride?
4-methoxybutane-2-sulfonyl chloride has a molecular weight of 186.66 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutane-2-sulfonyl chloride is sourced from PubChem (CID 62084725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).