3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride

C9H9ClO3S — CID 117266592

IUPAC3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride
SMILESC=C(Cc1ccccc1O)S(=O)(=O)Cl
InChIInChI=1S/C9H9ClO3S/c1-7(14(10,12)13)6-8-4-2-3-5-9(8)11/h2-5,11H,1,6H2
InChIKeyYQBLMKVXSCSYFV-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.02
Rot. Bonds3

About 3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride

3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride (PubChem CID 117266592) has the molecular formula C9H9ClO3S and a molecular weight of 232.69 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride
PubChem CID117266592
Molecular FormulaC9H9ClO3S
Molecular Weight232.69 g/mol
Exact Mass232.00
IUPAC Name3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride
SMILESC=C(Cc1ccccc1O)S(=O)(=O)Cl
InChIInChI=1S/C9H9ClO3S/c1-7(14(10,12)13)6-8-4-2-3-5-9(8)11/h2-5,11H,1,6H2
InChIKeyYQBLMKVXSCSYFV-UHFFFAOYSA-N
XLogP2.02
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride?
The IUPAC name of 3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride (CID 117266592) is 3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride.
What is the SMILES notation for 3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride?
The canonical SMILES for 3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride is C=C(Cc1ccccc1O)S(=O)(=O)Cl.
What is the InChIKey of 3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride?
The InChIKey is YQBLMKVXSCSYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO3S/c1-7(14(10,12)13)6-8-4-2-3-5-9(8)11/h2-5,11H,1,6H2.
What are the key properties of 3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride?
3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride has a molecular weight of 232.69 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)prop-1-ene-2-sulfonyl chloride is sourced from PubChem (CID 117266592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).