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

C19H22N2O7S2 — CID 2859568

IUPAC2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)NCCCO)ccc2-c2ccc(S(=O)(=O)NCCCO)cc21
InChIInChI=1S/C19H22N2O7S2/c22-9-1-7-20-29(25,26)13-3-5-15-16-6-4-14(30(27,28)21-8-2-10-23)12-18(16)19(24)17(15)11-13/h3-6,11-12,20-23H,1-2,7-10H2
InChIKeyONIMGFFRAIVFSZ-UHFFFAOYSA-N
MW454.53 g/mol
LogP0.22
Rot. Bonds10

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

2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide (PubChem CID 2859568) has the molecular formula C19H22N2O7S2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide
PubChem CID2859568
Molecular FormulaC19H22N2O7S2
Molecular Weight454.53 g/mol
Exact Mass454.09
IUPAC Name2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide
SMILESO=C1c2cc(S(=O)(=O)NCCCO)ccc2-c2ccc(S(=O)(=O)NCCCO)cc21
InChIInChI=1S/C19H22N2O7S2/c22-9-1-7-20-29(25,26)13-3-5-15-16-6-4-14(30(27,28)21-8-2-10-23)12-18(16)19(24)17(15)11-13/h3-6,11-12,20-23H,1-2,7-10H2
InChIKeyONIMGFFRAIVFSZ-UHFFFAOYSA-N
XLogP0.22
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9H-Fluorene-2,7-disulfonic acid bis-[(3-hydroxy-propyl)-amide]
CID 654673
N2,N7-bis(2-methoxyethyl)-9-oxo-9H-fluorene-2,7-disulfonamide
CID 1907335
N-[7-(acetylsulfamoyl)-9-oxofluoren-2-yl]sulfonylacetamide
CID 1969339
2,7-Bis{[(2-hydroxyethyl)amino]sulfonyl}fluoren-9-one
CID 2302193
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
4-[[(7-{[(3-carboxypropyl)(methyl)amino]sulfonyl}-9-oxo-9H-fluoren-2-yl)sulfonyl](methyl)amino]butanoic acid
CID 1722886
N,N,N',N'-tetrakis(2-hydroxyethyl)-9-oxo-9H-fluorene-2,7-disulfonamide
CID 1911857
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(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide (CID 2859568) is 2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide is O=C1c2cc(S(=O)(=O)NCCCO)ccc2-c2ccc(S(=O)(=O)NCCCO)cc21.
What is the InChIKey of 2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide?
The InChIKey is ONIMGFFRAIVFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S2/c22-9-1-7-20-29(25,26)13-3-5-15-16-6-4-14(30(27,28)21-8-2-10-23)12-18(16)19(24)17(15)11-13/h3-6,11-12,20-23H,1-2,7-10H2.
What are the key properties of 2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide?
2-N,7-N-bis(3-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide has a molecular weight of 454.53 g/mol, XLogP of 0.22, 10 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-hydroxypropyl)-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 2859568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).