3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride

C12H9ClO4S — CID 115059723

IUPAC3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2O)c(O)c1
InChIInChI=1S/C12H9ClO4S/c13-18(16,17)8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7,14-15H
InChIKeyOZAGPAKSIZTURD-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.69
Rot. Bonds2

About 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride

3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride (PubChem CID 115059723) has the molecular formula C12H9ClO4S and a molecular weight of 284.72 g/mol. Its IUPAC name is 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride
PubChem CID115059723
Molecular FormulaC12H9ClO4S
Molecular Weight284.72 g/mol
Exact Mass283.99
IUPAC Name3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(-c2ccccc2O)c(O)c1
InChIInChI=1S/C12H9ClO4S/c13-18(16,17)8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7,14-15H
InChIKeyOZAGPAKSIZTURD-UHFFFAOYSA-N
XLogP2.69
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride
CID 115059720
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonic acid
CID 141399633
3-hydroxy-4-methylbenzenesulfonyl chloride
CID 55279954
4-bromo-3-hydroxybenzenesulfonyl chloride
CID 84809433
3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 82307263
3-bromo-4-hydroxybenzenesulfonyl chloride
CID 79018057
3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride
CID 115059706
3-benzoyl-4-hydroxybenzenesulfonyl chloride
CID 175061802
3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 87181195
4-(2-sulfanylphenyl)benzenesulfonyl chloride
CID 18974432
3-ethyl-4-phenylbenzenesulfonyl chloride
CID 87181125
4-hydroxy-3-nitrobenzenesulfonyl chloride
CID 3670479

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
The IUPAC name of 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride (CID 115059723) is 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
The canonical SMILES for 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(-c2ccccc2O)c(O)c1.
What is the InChIKey of 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
The InChIKey is OZAGPAKSIZTURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO4S/c13-18(16,17)8-5-6-10(12(15)7-8)9-3-1-2-4-11(9)14/h1-7,14-15H.
What are the key properties of 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride?
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride has a molecular weight of 284.72 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride is sourced from PubChem (CID 115059723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).