2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide

C24H18N2O7S2 — CID 2943435

IUPAC2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc2oc3ccc(S(=O)(=O)Nc4ccc(O)cc4)cc3c2c1
InChIInChI=1S/C24H18N2O7S2/c27-17-5-1-15(2-6-17)25-34(29,30)19-9-11-23-21(13-19)22-14-20(10-12-24(22)33-23)35(31,32)26-16-3-7-18(28)8-4-16/h1-14,25-28H
InChIKeyRJYXHZKHSGGGQN-UHFFFAOYSA-N
MW510.55 g/mol
LogP4.60
Rot. Bonds6

About 2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide

2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide (PubChem CID 2943435) has the molecular formula C24H18N2O7S2 and a molecular weight of 510.55 g/mol. Its IUPAC name is 2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide.

Molecular Properties

Compound Name2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide
PubChem CID2943435
Molecular FormulaC24H18N2O7S2
Molecular Weight510.55 g/mol
Exact Mass510.06
IUPAC Name2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide
SMILESO=S(=O)(Nc1ccc(O)cc1)c1ccc2oc3ccc(S(=O)(=O)Nc4ccc(O)cc4)cc3c2c1
InChIInChI=1S/C24H18N2O7S2/c27-17-5-1-15(2-6-17)25-34(29,30)19-9-11-23-21(13-19)22-14-20(10-12-24(22)33-23)35(31,32)26-16-3-7-18(28)8-4-16/h1-14,25-28H
InChIKeyRJYXHZKHSGGGQN-UHFFFAOYSA-N
XLogP4.60
TPSA145.94 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 54.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

CID 56943086
CID 56943086
CID 2268868
CID 2268868
CID 44380172
CID 44380172
CID 1159989
CID 1159989
CID 11069560
CID 11069560
CID 42645306
CID 42645306
CID 42645307
CID 42645307
CID 57750941
CID 57750941
CID 57750952
CID 57750952
CID 3546335
CID 3546335
CID 682743
CID 682743
CID 1242007
CID 1242007

Frequently Asked Questions

What is the IUPAC name of 2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide?
The IUPAC name of 2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide (CID 2943435) is 2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide.
What is the SMILES notation for 2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide?
The canonical SMILES for 2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide is O=S(=O)(Nc1ccc(O)cc1)c1ccc2oc3ccc(S(=O)(=O)Nc4ccc(O)cc4)cc3c2c1.
What is the InChIKey of 2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide?
The InChIKey is RJYXHZKHSGGGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O7S2/c27-17-5-1-15(2-6-17)25-34(29,30)19-9-11-23-21(13-19)22-14-20(10-12-24(22)33-23)35(31,32)26-16-3-7-18(28)8-4-16/h1-14,25-28H.
What are the key properties of 2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide?
2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide has a molecular weight of 510.55 g/mol, XLogP of 4.60, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,8-N-bis(4-hydroxyphenyl)dibenzofuran-2,8-disulfonamide is sourced from PubChem (CID 2943435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).