4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide

C24H20FN3O4S — CID 5431510

IUPAC4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N\NS(=O)(=O)c2ccc(F)cc2)cc1COc1cccc2cccnc12
InChIInChI=1S/C24H20FN3O4S/c1-31-22-12-7-17(15-27-28-33(29,30)21-10-8-20(25)9-11-21)14-19(22)16-32-23-6-2-4-18-5-3-13-26-24(18)23/h2-15,28H,16H2,1H3/b27-15-
InChIKeyCRLFEPKRSOGAQW-DICXZTSXSA-N
MW465.51 g/mol
LogP4.27
Rot. Bonds8

About 4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide

4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 5431510) has the molecular formula C24H20FN3O4S and a molecular weight of 465.51 g/mol. Its IUPAC name is 4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide
PubChem CID5431510
Molecular FormulaC24H20FN3O4S
Molecular Weight465.51 g/mol
Exact Mass465.12
IUPAC Name4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N\NS(=O)(=O)c2ccc(F)cc2)cc1COc1cccc2cccnc12
InChIInChI=1S/C24H20FN3O4S/c1-31-22-12-7-17(15-27-28-33(29,30)21-10-8-20(25)9-11-21)14-19(22)16-32-23-6-2-4-18-5-3-13-26-24(18)23/h2-15,28H,16H2,1H3/b27-15-
InChIKeyCRLFEPKRSOGAQW-DICXZTSXSA-N
XLogP4.27
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide
CID 5128640
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 124605419
2-[[5-[(Z)-[(4-ethoxyphenyl)sulfonylhydrazinylidene]methyl]-2-methoxyphenyl]methoxy]benzamide
CID 28702064
4-fluoro-N-[[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide
CID 1007976
(E)-1-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]-N-(4-nitropyrazol-1-yl)methanimine
CID 19580866
N-[(E)-[4-[(2,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 110516370
N-[(E)-(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517477
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 6294716
N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 22780577
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525499
(E)-1-(4-methoxyphenyl)-3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]prop-2-en-1-one
CID 19558622

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide (CID 5431510) is 4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide is COc1ccc(/C=N\NS(=O)(=O)c2ccc(F)cc2)cc1COc1cccc2cccnc12.
What is the InChIKey of 4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is CRLFEPKRSOGAQW-DICXZTSXSA-N. The full InChI is InChI=1S/C24H20FN3O4S/c1-31-22-12-7-17(15-27-28-33(29,30)21-10-8-20(25)9-11-21)14-19(22)16-32-23-6-2-4-18-5-3-13-26-24(18)23/h2-15,28H,16H2,1H3/b27-15-.
What are the key properties of 4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide?
4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 465.51 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5431510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).