(2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate

C12H7Cl3O5S — CID 141360139

IUPAC(2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate
SMILESO=S(=O)(Oc1ccc(O)c(Cl)c1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C12H7Cl3O5S/c13-6-1-2-7(16)10(5-6)21(18,19)20-9-4-3-8(17)11(14)12(9)15/h1-5,16-17H
InChIKeyXDIHMZUZWWXSLJ-UHFFFAOYSA-N
MW369.61 g/mol
LogP3.83
Rot. Bonds3

About (2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate

(2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate (PubChem CID 141360139) has the molecular formula C12H7Cl3O5S and a molecular weight of 369.61 g/mol. Its IUPAC name is (2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate.

Molecular Properties

Compound Name(2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate
PubChem CID141360139
Molecular FormulaC12H7Cl3O5S
Molecular Weight369.61 g/mol
Exact Mass367.91
IUPAC Name(2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate
SMILESO=S(=O)(Oc1ccc(O)c(Cl)c1Cl)c1cc(Cl)ccc1O
InChIInChI=1S/C12H7Cl3O5S/c13-6-1-2-7(16)10(5-6)21(18,19)20-9-4-3-8(17)11(14)12(9)15/h1-5,16-17H
InChIKeyXDIHMZUZWWXSLJ-UHFFFAOYSA-N
XLogP3.83
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.61
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-methylsulfonylphenol
CID 130032505
(2-carbamoylphenyl) 5-chloro-2-methylbenzenesulfonate
CID 34031546
4-chloro-2-propylsulfonylphenol
CID 71443861
methyl 5-chloro-2-methoxybenzenesulfonate
CID 89056294
2-(2,3-dichloro-4-hydroxyphenoxy)acetic acid
CID 14496899
2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-[2-[2-(4-chlorophenyl)sulfonyl-4-[3-(4-chlorophenyl)sulfonyl-4-hydroxyphenyl]sulfonylphenoxy]ethoxy]phenyl]sulfonylphenol
CID 139819703
(3,4-diaminophenyl) 5-chloro-2-methylbenzenesulfonate
CID 21493537
(3-hydroxy-5-methylphenyl) 2,5-dichlorobenzenesulfonate
CID 11045855
(2-ethoxyphenyl) 2,5-dichlorobenzenesulfonate
CID 26948914
(3,4-diaminophenyl) 2,5-dichlorobenzenesulfonate
CID 21493519
(4-ethylphenyl) 5-chloro-2-methoxybenzenesulfonate
CID 39845883
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874

Frequently Asked Questions

What is the IUPAC name of (2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate?
The IUPAC name of (2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate (CID 141360139) is (2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate.
What is the SMILES notation for (2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate?
The canonical SMILES for (2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate is O=S(=O)(Oc1ccc(O)c(Cl)c1Cl)c1cc(Cl)ccc1O.
What is the InChIKey of (2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate?
The InChIKey is XDIHMZUZWWXSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O5S/c13-6-1-2-7(16)10(5-6)21(18,19)20-9-4-3-8(17)11(14)12(9)15/h1-5,16-17H.
What are the key properties of (2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate?
(2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate has a molecular weight of 369.61 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichloro-4-hydroxyphenyl) 5-chloro-2-hydroxybenzenesulfonate is sourced from PubChem (CID 141360139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).