2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide

C20H26N2O5S2 — CID 3155998

IUPAC2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)NC(C)(C)C)cc3c2c1
InChIInChI=1S/C20H26N2O5S2/c1-19(2,3)21-28(23,24)13-7-9-17-15(11-13)16-12-14(8-10-18(16)27-17)29(25,26)22-20(4,5)6/h7-12,21-22H,1-6H3
InChIKeyHUDQKOGGCSZOET-UHFFFAOYSA-N
MW438.57 g/mol
LogP3.74
Rot. Bonds4

About 2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide

2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide (PubChem CID 3155998) has the molecular formula C20H26N2O5S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is 2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide.

Molecular Properties

Compound Name2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide
PubChem CID3155998
Molecular FormulaC20H26N2O5S2
Molecular Weight438.57 g/mol
Exact Mass438.13
IUPAC Name2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)NC(C)(C)C)cc3c2c1
InChIInChI=1S/C20H26N2O5S2/c1-19(2,3)21-28(23,24)13-7-9-17-15(11-13)16-12-14(8-10-18(16)27-17)29(25,26)22-20(4,5)6/h7-12,21-22H,1-6H3
InChIKeyHUDQKOGGCSZOET-UHFFFAOYSA-N
XLogP3.74
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 53.74
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-ditert-butyldibenzofuran-2,8-disulfonamide?
The IUPAC name of 2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide (CID 3155998) is 2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide.
What is the SMILES notation for 2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide?
The canonical SMILES for 2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide is CC(C)(C)NS(=O)(=O)c1ccc2oc3ccc(S(=O)(=O)NC(C)(C)C)cc3c2c1.
What is the InChIKey of 2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide?
The InChIKey is HUDQKOGGCSZOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5S2/c1-19(2,3)21-28(23,24)13-7-9-17-15(11-13)16-12-14(8-10-18(16)27-17)29(25,26)22-20(4,5)6/h7-12,21-22H,1-6H3.
What are the key properties of 2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide?
2-N,8-N-ditert-butyldibenzofuran-2,8-disulfonamide has a molecular weight of 438.57 g/mol, XLogP of 3.74, 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-ditert-butyldibenzofuran-2,8-disulfonamide is sourced from PubChem (CID 3155998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).