N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide

C22H15FN2O5S2 — CID 6620739

IUPACN-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccccc2)=CC(=NS(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H15FN2O5S2/c23-15-10-12-17(13-11-15)32(29,30)24-20-14-21(22(26)19-9-5-4-8-18(19)20)25-31(27,28)16-6-2-1-3-7-16/h1-14,25H
InChIKeyZXRDPRZWDNMVAH-UHFFFAOYSA-N
MW470.50 g/mol
LogP3.06
Rot. Bonds5

About N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide

N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide (PubChem CID 6620739) has the molecular formula C22H15FN2O5S2 and a molecular weight of 470.50 g/mol. Its IUPAC name is N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide
PubChem CID6620739
Molecular FormulaC22H15FN2O5S2
Molecular Weight470.50 g/mol
Exact Mass470.04
IUPAC NameN-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide
SMILESO=C1C(NS(=O)(=O)c2ccccc2)=CC(=NS(=O)(=O)c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C22H15FN2O5S2/c23-15-10-12-17(13-11-15)32(29,30)24-20-14-21(22(26)19-9-5-4-8-18(19)20)25-31(27,28)16-6-2-1-3-7-16/h1-14,25H
InChIKeyZXRDPRZWDNMVAH-UHFFFAOYSA-N
XLogP3.06
TPSA109.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide (CID 6620739) is N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide is O=C1C(NS(=O)(=O)c2ccccc2)=CC(=NS(=O)(=O)c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide?
The InChIKey is ZXRDPRZWDNMVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O5S2/c23-15-10-12-17(13-11-15)32(29,30)24-20-14-21(22(26)19-9-5-4-8-18(19)20)25-31(27,28)16-6-2-1-3-7-16/h1-14,25H.
What are the key properties of N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide?
N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide has a molecular weight of 470.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzenesulfonamido)-4-oxonaphthalen-1-ylidene]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 6620739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).