5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride

C6H3Cl3O5S2 — CID 12527023

IUPAC5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(O)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H3Cl3O5S2/c7-4-1-3(15(8,11)12)2-5(6(4)10)16(9,13)14/h1-2,10H
InChIKeyRJMGUEXGQXNUBI-UHFFFAOYSA-N
MW325.58 g/mol
LogP1.90
Rot. Bonds2

About 5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride

5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride (PubChem CID 12527023) has the molecular formula C6H3Cl3O5S2 and a molecular weight of 325.58 g/mol. Its IUPAC name is 5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride.

Molecular Properties

Compound Name5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride
PubChem CID12527023
Molecular FormulaC6H3Cl3O5S2
Molecular Weight325.58 g/mol
Exact Mass323.85
IUPAC Name5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)c(O)c(S(=O)(=O)Cl)c1
InChIInChI=1S/C6H3Cl3O5S2/c7-4-1-3(15(8,11)12)2-5(6(4)10)16(9,13)14/h1-2,10H
InChIKeyRJMGUEXGQXNUBI-UHFFFAOYSA-N
XLogP1.90
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.58
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride?
The IUPAC name of 5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride (CID 12527023) is 5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride.
What is the SMILES notation for 5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride?
The canonical SMILES for 5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)c(O)c(S(=O)(=O)Cl)c1.
What is the InChIKey of 5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride?
The InChIKey is RJMGUEXGQXNUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl3O5S2/c7-4-1-3(15(8,11)12)2-5(6(4)10)16(9,13)14/h1-2,10H.
What are the key properties of 5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride?
5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride has a molecular weight of 325.58 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-hydroxybenzene-1,3-disulfonyl chloride is sourced from PubChem (CID 12527023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).