2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide

C23H20N2O6S2 — CID 980900

IUPAC2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCc3ccco3)ccc1-2
InChIInChI=1S/C23H20N2O6S2/c26-32(27,24-14-18-3-1-9-30-18)20-5-7-22-16(12-20)11-17-13-21(6-8-23(17)22)33(28,29)25-15-19-4-2-10-31-19/h1-10,12-13,24-25H,11,14-15H2
InChIKeyHWWHZSNJWALPOF-UHFFFAOYSA-N
MW484.56 g/mol
LogP3.40
Rot. Bonds8

About 2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide

2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide (PubChem CID 980900) has the molecular formula C23H20N2O6S2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide
PubChem CID980900
Molecular FormulaC23H20N2O6S2
Molecular Weight484.56 g/mol
Exact Mass484.08
IUPAC Name2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCc3ccco3)ccc1-2
InChIInChI=1S/C23H20N2O6S2/c26-32(27,24-14-18-3-1-9-30-18)20-5-7-22-16(12-20)11-17-13-21(6-8-23(17)22)33(28,29)25-15-19-4-2-10-31-19/h1-10,12-13,24-25H,11,14-15H2
InChIKeyHWWHZSNJWALPOF-UHFFFAOYSA-N
XLogP3.40
TPSA118.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide (CID 980900) is 2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide is O=S(=O)(NCc1ccco1)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCc3ccco3)ccc1-2.
What is the InChIKey of 2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide?
The InChIKey is HWWHZSNJWALPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6S2/c26-32(27,24-14-18-3-1-9-30-18)20-5-7-22-16(12-20)11-17-13-21(6-8-23(17)22)33(28,29)25-15-19-4-2-10-31-19/h1-10,12-13,24-25H,11,14-15H2.
What are the key properties of 2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide?
2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide has a molecular weight of 484.56 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(furan-2-ylmethyl)-9H-fluorene-2,7-disulfonamide is sourced from PubChem (CID 980900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).