4-hydroxybenzenesulfonyl chloride

C6H5ClO3S — CID 11424093

IUPAC4-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(O)cc1
InChIInChI=1S/C6H5ClO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H
InChIKeyXKQZGGLHJYTXJA-UHFFFAOYSA-N
MW192.62 g/mol
LogP1.32
Rot. Bonds1

About 4-hydroxybenzenesulfonyl chloride

4-hydroxybenzenesulfonyl chloride (PubChem CID 11424093) has the molecular formula C6H5ClO3S and a molecular weight of 192.62 g/mol. Its IUPAC name is 4-hydroxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-hydroxybenzenesulfonyl chloride
PubChem CID11424093
Molecular FormulaC6H5ClO3S
Molecular Weight192.62 g/mol
Exact Mass191.96
IUPAC Name4-hydroxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(O)cc1
InChIInChI=1S/C6H5ClO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H
InChIKeyXKQZGGLHJYTXJA-UHFFFAOYSA-N
XLogP1.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.62
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzenesulfonyl chloride?
The IUPAC name of 4-hydroxybenzenesulfonyl chloride (CID 11424093) is 4-hydroxybenzenesulfonyl chloride.
What is the SMILES notation for 4-hydroxybenzenesulfonyl chloride?
The canonical SMILES for 4-hydroxybenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzenesulfonyl chloride?
The InChIKey is XKQZGGLHJYTXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H.
What are the key properties of 4-hydroxybenzenesulfonyl chloride?
4-hydroxybenzenesulfonyl chloride has a molecular weight of 192.62 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzenesulfonyl chloride is sourced from PubChem (CID 11424093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).