N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide

C21H19FN2O4S — CID 124605419

IUPACN-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide
SMILESCOc1cc(/C=N\NS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1F
InChIInChI=1S/C21H19FN2O4S/c1-27-21-13-16(14-23-24-29(25,26)18-8-3-2-4-9-18)11-12-20(21)28-15-17-7-5-6-10-19(17)22/h2-14,24H,15H2,1H3/b23-14-
InChIKeyYUENGFPDFPZESO-UCQKPKSFSA-N
MW414.46 g/mol
LogP3.73
Rot. Bonds8

About N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide

N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide (PubChem CID 124605419) has the molecular formula C21H19FN2O4S and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide
PubChem CID124605419
Molecular FormulaC21H19FN2O4S
Molecular Weight414.46 g/mol
Exact Mass414.10
IUPAC NameN-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide
SMILESCOc1cc(/C=N\NS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1F
InChIInChI=1S/C21H19FN2O4S/c1-27-21-13-16(14-23-24-29(25,26)18-8-3-2-4-9-18)11-12-20(21)28-15-17-7-5-6-10-19(17)22/h2-14,24H,15H2,1H3/b23-14-
InChIKeyYUENGFPDFPZESO-UCQKPKSFSA-N
XLogP3.73
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 6294716
[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]urea
CID 5426340
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509660
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 5430799
[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]thiourea
CID 7698046
N-[(E)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridin-2-amine
CID 110505665
2-N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
CID 98095090
N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 4258578
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 6248419
3-chloro-N-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840215
N'-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-propyloxamide
CID 8930740
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-4-carboxamide
CID 110514772

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide (CID 124605419) is N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide is COc1cc(/C=N\NS(=O)(=O)c2ccccc2)ccc1OCc1ccccc1F.
What is the InChIKey of N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide?
The InChIKey is YUENGFPDFPZESO-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H19FN2O4S/c1-27-21-13-16(14-23-24-29(25,26)18-8-3-2-4-9-18)11-12-20(21)28-15-17-7-5-6-10-19(17)22/h2-14,24H,15H2,1H3/b23-14-.
What are the key properties of N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide?
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide has a molecular weight of 414.46 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 124605419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).