2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide

C49H82N2O5S2 — CID 3417830

IUPAC2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCCCCCCCCCCCCCCCCC)ccc1-2
InChIInChI=1S/C49H82N2O5S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-50-57(53,54)43-35-37-45-46-38-36-44(42-48(46)49(52)47(45)41-43)58(55,56)51-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38,41-42,50-51H,3-34,39-40H2,1-2H3
InChIKeyYNAHLCKDPBZQHN-UHFFFAOYSA-N
MW843.34 g/mol
LogP13.98
Rot. Bonds38

About 2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide

2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide (PubChem CID 3417830) has the molecular formula C49H82N2O5S2 and a molecular weight of 843.34 g/mol. Its IUPAC name is 2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide.

Molecular Properties

Compound Name2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
PubChem CID3417830
Molecular FormulaC49H82N2O5S2
Molecular Weight843.34 g/mol
Exact Mass842.57
IUPAC Name2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide
SMILESCCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCCCCCCCCCCCCCCCCC)ccc1-2
InChIInChI=1S/C49H82N2O5S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-50-57(53,54)43-35-37-45-46-38-36-44(42-48(46)49(52)47(45)41-43)58(55,56)51-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38,41-42,50-51H,3-34,39-40H2,1-2H3
InChIKeyYNAHLCKDPBZQHN-UHFFFAOYSA-N
XLogP13.98
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds38
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.34
LogP ≤ 513.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide with MolForge

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Related Compounds

N-decyl-9,10-dioxoanthracene-2-sulfonamide
CID 18592937
9-hydroxyimino-2-N,7-N-dioctadecylfluorene-2,7-disulfonamide
CID 21238299
N-nonylnaphthalene-2-sulfonamide
CID 19681387
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-tridecylbenzenesulfonamide
CID 3514704
N-dodecyl-6-hydroxynaphthalene-2-sulfonamide
CID 71346351
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
3-bromo-N-hexylbenzenesulfonamide
CID 31481292
3-amino-N-dodecyl-4-methoxybenzenesulfonamide
CID 3399543
N-hexyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422191
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311

Frequently Asked Questions

What is the IUPAC name of 2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide?
The IUPAC name of 2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide (CID 3417830) is 2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide.
What is the SMILES notation for 2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide?
The canonical SMILES for 2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide is CCCCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCCCCCCCCCCCCCCCCC)ccc1-2.
What is the InChIKey of 2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide?
The InChIKey is YNAHLCKDPBZQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H82N2O5S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-50-57(53,54)43-35-37-45-46-38-36-44(42-48(46)49(52)47(45)41-43)58(55,56)51-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38,41-42,50-51H,3-34,39-40H2,1-2H3.
What are the key properties of 2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide?
2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide has a molecular weight of 843.34 g/mol, XLogP of 13.98, 38 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,7-N-dioctadecyl-9-oxofluorene-2,7-disulfonamide is sourced from PubChem (CID 3417830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).