2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide

C22H26N2O7S2 — CID 2942509

IUPAC2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc2oc3ccc(S(=O)(=O)NCC4CCCO4)cc3c2c1
InChIInChI=1S/C22H26N2O7S2/c25-32(26,23-13-15-3-1-9-29-15)17-5-7-21-19(11-17)20-12-18(6-8-22(20)31-21)33(27,28)24-14-16-4-2-10-30-16/h5-8,11-12,15-16,23-24H,1-4,9-10,13-14H2
InChIKeyFJHMZIIXSBMUHV-UHFFFAOYSA-N
MW494.59 g/mol
LogP2.50
Rot. Bonds8

About 2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide

2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide (PubChem CID 2942509) has the molecular formula C22H26N2O7S2 and a molecular weight of 494.59 g/mol. Its IUPAC name is 2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide.

Molecular Properties

Compound Name2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide
PubChem CID2942509
Molecular FormulaC22H26N2O7S2
Molecular Weight494.59 g/mol
Exact Mass494.12
IUPAC Name2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide
SMILESO=S(=O)(NCC1CCCO1)c1ccc2oc3ccc(S(=O)(=O)NCC4CCCO4)cc3c2c1
InChIInChI=1S/C22H26N2O7S2/c25-32(26,23-13-15-3-1-9-29-15)17-5-7-21-19(11-17)20-12-18(6-8-22(20)31-21)33(27,28)24-14-16-4-2-10-30-16/h5-8,11-12,15-16,23-24H,1-4,9-10,13-14H2
InChIKeyFJHMZIIXSBMUHV-UHFFFAOYSA-N
XLogP2.50
TPSA123.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.59
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide?
The IUPAC name of 2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide (CID 2942509) is 2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide.
What is the SMILES notation for 2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide?
The canonical SMILES for 2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide is O=S(=O)(NCC1CCCO1)c1ccc2oc3ccc(S(=O)(=O)NCC4CCCO4)cc3c2c1.
What is the InChIKey of 2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide?
The InChIKey is FJHMZIIXSBMUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O7S2/c25-32(26,23-13-15-3-1-9-29-15)17-5-7-21-19(11-17)20-12-18(6-8-22(20)31-21)33(27,28)24-14-16-4-2-10-30-16/h5-8,11-12,15-16,23-24H,1-4,9-10,13-14H2.
What are the key properties of 2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide?
2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide has a molecular weight of 494.59 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(oxolan-2-ylmethyl)dibenzofuran-2,8-disulfonamide is sourced from PubChem (CID 2942509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).