dibenzofuran-3,7-disulfonyl chloride

C12H6Cl2O5S2 — CID 154087525

IUPACdibenzofuran-3,7-disulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)oc1cc(S(=O)(=O)Cl)ccc12
InChIInChI=1S/C12H6Cl2O5S2/c13-20(15,16)7-1-3-9-10-4-2-8(21(14,17)18)6-12(10)19-11(9)5-7/h1-6H
InChIKeyFVKXWHTYDJIAMZ-UHFFFAOYSA-N
MW365.22 g/mol
LogP3.44
Rot. Bonds2

About dibenzofuran-3,7-disulfonyl chloride

dibenzofuran-3,7-disulfonyl chloride (PubChem CID 154087525) has the molecular formula C12H6Cl2O5S2 and a molecular weight of 365.22 g/mol. Its IUPAC name is dibenzofuran-3,7-disulfonyl chloride.

Molecular Properties

Compound Namedibenzofuran-3,7-disulfonyl chloride
PubChem CID154087525
Molecular FormulaC12H6Cl2O5S2
Molecular Weight365.22 g/mol
Exact Mass363.90
IUPAC Namedibenzofuran-3,7-disulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2c(c1)oc1cc(S(=O)(=O)Cl)ccc12
InChIInChI=1S/C12H6Cl2O5S2/c13-20(15,16)7-1-3-9-10-4-2-8(21(14,17)18)6-12(10)19-11(9)5-7/h1-6H
InChIKeyFVKXWHTYDJIAMZ-UHFFFAOYSA-N
XLogP3.44
TPSA81.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dibenzofuran-3,7-disulfonyl chloride?
The IUPAC name of dibenzofuran-3,7-disulfonyl chloride (CID 154087525) is dibenzofuran-3,7-disulfonyl chloride.
What is the SMILES notation for dibenzofuran-3,7-disulfonyl chloride?
The canonical SMILES for dibenzofuran-3,7-disulfonyl chloride is O=S(=O)(Cl)c1ccc2c(c1)oc1cc(S(=O)(=O)Cl)ccc12.
What is the InChIKey of dibenzofuran-3,7-disulfonyl chloride?
The InChIKey is FVKXWHTYDJIAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2O5S2/c13-20(15,16)7-1-3-9-10-4-2-8(21(14,17)18)6-12(10)19-11(9)5-7/h1-6H.
What are the key properties of dibenzofuran-3,7-disulfonyl chloride?
dibenzofuran-3,7-disulfonyl chloride has a molecular weight of 365.22 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzofuran-3,7-disulfonyl chloride is sourced from PubChem (CID 154087525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).