2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide

C14H14N2O5S2 — CID 2924981

IUPAC2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide
SMILESCNS(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)NC)cc3c2c1
InChIInChI=1S/C14H14N2O5S2/c1-15-22(17,18)9-3-5-13-11(7-9)12-8-10(23(19,20)16-2)4-6-14(12)21-13/h3-8,15-16H,1-2H3
InChIKeyWNKZQHSAZIDQKI-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.40
Rot. Bonds4

About 2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide

2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide (PubChem CID 2924981) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide.

Molecular Properties

Compound Name2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide
PubChem CID2924981
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Name2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide
SMILESCNS(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)NC)cc3c2c1
InChIInChI=1S/C14H14N2O5S2/c1-15-22(17,18)9-3-5-13-11(7-9)12-8-10(23(19,20)16-2)4-6-14(12)21-13/h3-8,15-16H,1-2H3
InChIKeyWNKZQHSAZIDQKI-UHFFFAOYSA-N
XLogP1.40
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide?
The IUPAC name of 2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide (CID 2924981) is 2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide.
What is the SMILES notation for 2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide?
The canonical SMILES for 2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide is CNS(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)NC)cc3c2c1.
What is the InChIKey of 2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide?
The InChIKey is WNKZQHSAZIDQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c1-15-22(17,18)9-3-5-13-11(7-9)12-8-10(23(19,20)16-2)4-6-14(12)21-13/h3-8,15-16H,1-2H3.
What are the key properties of 2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide?
2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide has a molecular weight of 354.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-dimethyldibenzofuran-2,8-disulfonamide is sourced from PubChem (CID 2924981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).