(Z)-4-hydroxybut-1-ene-1-sulfonyl chloride

C4H7ClO3S — CID 117265856

IUPAC(Z)-4-hydroxybut-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CCO
InChIInChI=1S/C4H7ClO3S/c5-9(7,8)4-2-1-3-6/h2,4,6H,1,3H2/b4-2-
InChIKeyUGYSVUWNXOZQTA-RQOWECAXSA-N
MW170.62 g/mol
LogP0.45
Rot. Bonds3

About (Z)-4-hydroxybut-1-ene-1-sulfonyl chloride

(Z)-4-hydroxybut-1-ene-1-sulfonyl chloride (PubChem CID 117265856) has the molecular formula C4H7ClO3S and a molecular weight of 170.62 g/mol. Its IUPAC name is (Z)-4-hydroxybut-1-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(Z)-4-hydroxybut-1-ene-1-sulfonyl chloride
PubChem CID117265856
Molecular FormulaC4H7ClO3S
Molecular Weight170.62 g/mol
Exact Mass169.98
IUPAC Name(Z)-4-hydroxybut-1-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)/C=C\CCO
InChIInChI=1S/C4H7ClO3S/c5-9(7,8)4-2-1-3-6/h2,4,6H,1,3H2/b4-2-
InChIKeyUGYSVUWNXOZQTA-RQOWECAXSA-N
XLogP0.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.62
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-hydroxybut-1-ene-1-sulfonyl chloride?
The IUPAC name of (Z)-4-hydroxybut-1-ene-1-sulfonyl chloride (CID 117265856) is (Z)-4-hydroxybut-1-ene-1-sulfonyl chloride.
What is the SMILES notation for (Z)-4-hydroxybut-1-ene-1-sulfonyl chloride?
The canonical SMILES for (Z)-4-hydroxybut-1-ene-1-sulfonyl chloride is O=S(=O)(Cl)/C=C\CCO.
What is the InChIKey of (Z)-4-hydroxybut-1-ene-1-sulfonyl chloride?
The InChIKey is UGYSVUWNXOZQTA-RQOWECAXSA-N. The full InChI is InChI=1S/C4H7ClO3S/c5-9(7,8)4-2-1-3-6/h2,4,6H,1,3H2/b4-2-.
What are the key properties of (Z)-4-hydroxybut-1-ene-1-sulfonyl chloride?
(Z)-4-hydroxybut-1-ene-1-sulfonyl chloride has a molecular weight of 170.62 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-hydroxybut-1-ene-1-sulfonyl chloride is sourced from PubChem (CID 117265856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).