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

C19H24N2O6S2 — CID 654673

IUPAC2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(NCCCO)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCCCO)ccc1-2
InChIInChI=1S/C19H24N2O6S2/c22-9-1-7-20-28(24,25)16-3-5-18-14(12-16)11-15-13-17(4-6-19(15)18)29(26,27)21-8-2-10-23/h3-6,12-13,20-23H,1-2,7-11H2
InChIKeyQCWVYDXEYQXJNS-UHFFFAOYSA-N
MW440.54 g/mol
LogP0.58
Rot. Bonds10

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

2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide (PubChem CID 654673) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide
PubChem CID654673
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Name2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide
SMILESO=S(=O)(NCCCO)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCCCO)ccc1-2
InChIInChI=1S/C19H24N2O6S2/c22-9-1-7-20-28(24,25)16-3-5-18-14(12-16)11-15-13-17(4-6-19(15)18)29(26,27)21-8-2-10-23/h3-6,12-13,20-23H,1-2,7-11H2
InChIKeyQCWVYDXEYQXJNS-UHFFFAOYSA-N
XLogP0.58
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide with MolForge

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Related Compounds

N-(3-hydroxypropyl)-1,3-dioxoisoindole-5-sulfonamide
CID 100820371
2-N,7-N-dibenzyl-9H-fluorene-2,7-disulfonamide
CID 1102995
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
2-N,7-N-bis(1-hydroxy-2-methylpropan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 1154512
4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
CID 102537257
CID 88515722
CID 88515722
4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 67924061
3-amino-4-hydroxy-N-(4-hydroxybutyl)benzenesulfonamide
CID 106840203
7-N-[(2S)-butan-2-yl]-2-N-[(2R)-butan-2-yl]-9H-fluorene-2,7-disulfonamide
CID 979641
2-N,7-N-di(butan-2-yl)-9H-fluorene-2,7-disulfonamide
CID 3130331
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide (CID 654673) is 2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide is O=S(=O)(NCCCO)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCCCO)ccc1-2.
What is the InChIKey of 2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide?
The InChIKey is QCWVYDXEYQXJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c22-9-1-7-20-28(24,25)16-3-5-18-14(12-16)11-15-13-17(4-6-19(15)18)29(26,27)21-8-2-10-23/h3-6,12-13,20-23H,1-2,7-11H2.
What are the key properties of 2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide?
2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide has a molecular weight of 440.54 g/mol, XLogP of 0.58, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide is sourced from PubChem (CID 654673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).