2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide

C17H18N2O7S2 — CID 2302193

IUPAC2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)NCCO)ccc2-c2ccc(S(=O)(=O)NCCO)cc21
InChIInChI=1S/C17H18N2O7S2/c20-7-5-18-27(23,24)11-1-3-13-14-4-2-12(28(25,26)19-6-8-21)10-16(14)17(22)15(13)9-11/h1-4,9-10,18-21H,5-8H2
InChIKeySYYHQVHHTZLALQ-UHFFFAOYSA-N
MW426.47 g/mol
LogP-0.56
Rot. Bonds8

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

2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide (PubChem CID 2302193) has the molecular formula C17H18N2O7S2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide
PubChem CID2302193
Molecular FormulaC17H18N2O7S2
Molecular Weight426.47 g/mol
Exact Mass426.06
IUPAC Name2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)NCCO)ccc2-c2ccc(S(=O)(=O)NCCO)cc21
InChIInChI=1S/C17H18N2O7S2/c20-7-5-18-27(23,24)11-1-3-13-14-4-2-12(28(25,26)19-6-8-21)10-16(14)17(22)15(13)9-11/h1-4,9-10,18-21H,5-8H2
InChIKeySYYHQVHHTZLALQ-UHFFFAOYSA-N
XLogP-0.56
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

9H-Fluorene-2,7-disulfonic acid bis-[(3-hydroxy-propyl)-amide]
CID 654673
N2,N9-dimethyl-11-oxo-5,6-dihydrodibenzo[3,1-b:3',1'-f][7]annulene-2,9-disulfonamide
CID 44142114
N2,N7-bis(2-methoxyethyl)-9-oxo-9H-fluorene-2,7-disulfonamide
CID 1907335
N-[7-(acetylsulfamoyl)-9-oxofluoren-2-yl]sulfonylacetamide
CID 1969339
N-(2-hydroxyethyl)-9,10-dioxo-9,10-dihydroanthracene-2-sulfonamide
CID 7122772
2,7-Bis{[(2-hydroxyethyl)methylamino]sulfonyl}fluoren-9-one
CID 991359
2-[[7-(Carboxymethylsulfamoyl)-9-oxofluoren-2-yl]sulfonylamino]acetic acid
CID 1596134
N,N,N',N'-tetrakis(2-hydroxyethyl)-9-oxo-9H-fluorene-2,7-disulfonamide
CID 1911857
2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide
CID 2859568
2-{7-[(1-carboxyethyl)sulfamoyl]-9-oxo-9H-fluorene-2-sulfonamido}propanoic acid
CID 3427057
6-{[(7-{[(5-Carboxypentyl)amino]sulfonyl}-9-oxo-9H-fluoren-2-YL)sulfonyl]amino}hexanoic acid
CID 2859602
N,N'-bis(2-hydroxyethyl)-9H-fluorene-2,7-disulfonamide
CID 1851884

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide (CID 2302193) is 2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide is O=C1c2cc(S(=O)(=O)NCCO)ccc2-c2ccc(S(=O)(=O)NCCO)cc21.
What is the InChIKey of 2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide?
The InChIKey is SYYHQVHHTZLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O7S2/c20-7-5-18-27(23,24)11-1-3-13-14-4-2-12(28(25,26)19-6-8-21)10-16(14)17(22)15(13)9-11/h1-4,9-10,18-21H,5-8H2.
What are the key properties of 2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide?
2-N,7-N-bis(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide has a molecular weight of 426.47 g/mol, XLogP of -0.56, 8 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(2-hydroxyethyl)-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 2302193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).