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

C23H20N2O7S2 — CID 4067948

IUPAC2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc2c(c1)C(O)c1cc(S(=O)(=O)NCc3ccco3)ccc1-2
InChIInChI=1S/C23H20N2O7S2/c26-23-21-11-17(33(27,28)24-13-15-3-1-9-31-15)5-7-19(21)20-8-6-18(12-22(20)23)34(29,30)25-14-16-4-2-10-32-16/h1-12,23-26H,13-14H2
InChIKeySFIUGJVDLKJRLR-UHFFFAOYSA-N
MW500.55 g/mol
LogP2.89
Rot. Bonds8

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

2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide (PubChem CID 4067948) has the molecular formula C23H20N2O7S2 and a molecular weight of 500.55 g/mol. Its IUPAC name is 2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide
PubChem CID4067948
Molecular FormulaC23H20N2O7S2
Molecular Weight500.55 g/mol
Exact Mass500.07
IUPAC Name2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc2c(c1)C(O)c1cc(S(=O)(=O)NCc3ccco3)ccc1-2
InChIInChI=1S/C23H20N2O7S2/c26-23-21-11-17(33(27,28)24-13-15-3-1-9-31-15)5-7-19(21)20-8-6-18(12-22(20)23)34(29,30)25-14-16-4-2-10-32-16/h1-12,23-26H,13-14H2
InChIKeySFIUGJVDLKJRLR-UHFFFAOYSA-N
XLogP2.89
TPSA138.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
N-(furan-2-ylmethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2744497
2-(cyclopropylamino)-5-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 99985163
3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317
methyl 2-bromo-5-(furan-2-ylmethylsulfamoyl)benzoate
CID 51289514
[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 169358880
5-(furan-2-ylmethylsulfamoyl)-2-methoxybenzamide
CID 34027934
N-[5-(furan-2-ylmethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 2991258
N-(furan-2-ylmethyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705597
3-ethoxy-4-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 934514

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide (CID 4067948) is 2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide is O=S(=O)(NCc1ccco1)c1ccc2c(c1)C(O)c1cc(S(=O)(=O)NCc3ccco3)ccc1-2.
What is the InChIKey of 2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide?
The InChIKey is SFIUGJVDLKJRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O7S2/c26-23-21-11-17(33(27,28)24-13-15-3-1-9-31-15)5-7-19(21)20-8-6-18(12-22(20)23)34(29,30)25-14-16-4-2-10-32-16/h1-12,23-26H,13-14H2.
What are the key properties of 2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide?
2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide has a molecular weight of 500.55 g/mol, XLogP of 2.89, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(furan-2-ylmethyl)-9-hydroxy-9H-fluorene-2,7-disulfonamide is sourced from PubChem (CID 4067948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).