1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide

C20H18N2O6S2 — CID 1108254

IUPAC1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc2c(S(=O)(=O)NCc3ccco3)cccc12
InChIInChI=1S/C20H18N2O6S2/c23-29(24,21-13-15-5-3-11-27-15)19-9-1-7-17-18(19)8-2-10-20(17)30(25,26)22-14-16-6-4-12-28-16/h1-12,21-22H,13-14H2
InChIKeyYJIHIMAJNMNWIG-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.98
Rot. Bonds8

About 1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide

1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide (PubChem CID 1108254) has the molecular formula C20H18N2O6S2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide.

Molecular Properties

Compound Name1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide
PubChem CID1108254
Molecular FormulaC20H18N2O6S2
Molecular Weight446.51 g/mol
Exact Mass446.06
IUPAC Name1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc2c(S(=O)(=O)NCc3ccco3)cccc12
InChIInChI=1S/C20H18N2O6S2/c23-29(24,21-13-15-5-3-11-27-15)19-9-1-7-17-18(19)8-2-10-20(17)30(25,26)22-14-16-6-4-12-28-16/h1-12,21-22H,13-14H2
InChIKeyYJIHIMAJNMNWIG-UHFFFAOYSA-N
XLogP2.98
TPSA118.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide?
The IUPAC name of 1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide (CID 1108254) is 1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide.
What is the SMILES notation for 1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide?
The canonical SMILES for 1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide is O=S(=O)(NCc1ccco1)c1cccc2c(S(=O)(=O)NCc3ccco3)cccc12.
What is the InChIKey of 1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide?
The InChIKey is YJIHIMAJNMNWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O6S2/c23-29(24,21-13-15-5-3-11-27-15)19-9-1-7-17-18(19)8-2-10-20(17)30(25,26)22-14-16-6-4-12-28-16/h1-12,21-22H,13-14H2.
What are the key properties of 1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide?
1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide has a molecular weight of 446.51 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,5-N-bis(furan-2-ylmethyl)naphthalene-1,5-disulfonamide is sourced from PubChem (CID 1108254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).