2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide

C25H18N2O7S2 — CID 10075434

IUPAC2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)Nc3cccc(O)c3)ccc2-c2ccc(S(=O)(=O)Nc3cccc(O)c3)cc21
InChIInChI=1S/C25H18N2O7S2/c28-17-5-1-3-15(11-17)26-35(31,32)19-7-9-21-22-10-8-20(14-24(22)25(30)23(21)13-19)36(33,34)27-16-4-2-6-18(29)12-16/h1-14,26-29H
InChIKeyFCYXQUQRBNMREF-UHFFFAOYSA-N
MW522.56 g/mol
LogP3.91
Rot. Bonds6

About 2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide

2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide (PubChem CID 10075434) has the molecular formula C25H18N2O7S2 and a molecular weight of 522.56 g/mol. Its IUPAC name is 2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
PubChem CID10075434
Molecular FormulaC25H18N2O7S2
Molecular Weight522.56 g/mol
Exact Mass522.06
IUPAC Name2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)Nc3cccc(O)c3)ccc2-c2ccc(S(=O)(=O)Nc3cccc(O)c3)cc21
InChIInChI=1S/C25H18N2O7S2/c28-17-5-1-3-15(11-17)26-35(31,32)19-7-9-21-22-10-8-20(14-24(22)25(30)23(21)13-19)36(33,34)27-16-4-2-6-18(29)12-16/h1-14,26-29H
InChIKeyFCYXQUQRBNMREF-UHFFFAOYSA-N
XLogP3.91
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.56
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2,7-bis[(3-hydroxyphenyl)sulfamoyl]fluoren-9-ylidene]acetate
CID 23436602
N-(3-hydroxyphenyl)-4-iodobenzenesulfonamide
CID 4254070
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
3-amino-N-(3-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 61168279
3-amino-4-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 61166904
2-hydroxy-5-[(3-hydroxyphenyl)sulfamoyl]benzamide
CID 130406151
4-cyclohexyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 18515473
3-(4-bromophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 56688809
3-[(3-hydroxyphenyl)sulfonylamino]benzenesulfonamide
CID 81264911
4-(2-aminophenyl)-N-(3-hydroxyphenyl)benzenesulfonamide
CID 110454372
2-[4-[(3-hydroxyphenyl)sulfamoyl]phenyl]acetic acid
CID 61167886
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide (CID 10075434) is 2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide is O=C1c2cc(S(=O)(=O)Nc3cccc(O)c3)ccc2-c2ccc(S(=O)(=O)Nc3cccc(O)c3)cc21.
What is the InChIKey of 2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide?
The InChIKey is FCYXQUQRBNMREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O7S2/c28-17-5-1-3-15(11-17)26-35(31,32)19-7-9-21-22-10-8-20(14-24(22)25(30)23(21)13-19)36(33,34)27-16-4-2-6-18(29)12-16/h1-14,26-29H.
What are the key properties of 2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide?
2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide has a molecular weight of 522.56 g/mol, XLogP of 3.91, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(3-hydroxyphenyl)-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 10075434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).