N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide

C24H19FN2O3S — CID 45055002

IUPACN-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H19FN2O3S/c25-20-13-10-18(11-14-20)17-30-24-15-12-19-6-4-5-9-22(19)23(24)16-26-27-31(28,29)21-7-2-1-3-8-21/h1-16,27H,17H2/b26-16+
InChIKeyGFITXLBCILVZNU-WGOQTCKBSA-N
MW434.49 g/mol
LogP4.87
Rot. Bonds7

About N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide

N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide (PubChem CID 45055002) has the molecular formula C24H19FN2O3S and a molecular weight of 434.49 g/mol. Its IUPAC name is N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide
PubChem CID45055002
Molecular FormulaC24H19FN2O3S
Molecular Weight434.49 g/mol
Exact Mass434.11
IUPAC NameN-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C24H19FN2O3S/c25-20-13-10-18(11-14-20)17-30-24-15-12-19-6-4-5-9-22(19)23(24)16-26-27-31(28,29)21-7-2-1-3-8-21/h1-16,27H,17H2/b26-16+
InChIKeyGFITXLBCILVZNU-WGOQTCKBSA-N
XLogP4.87
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 4992291
4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6002265
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-(trifluoromethyl)aniline
CID 110841844
4-ethoxy-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]benzenesulfonamide
CID 110516688
4-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6058956
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-nitroaniline
CID 110842100
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 6114794
4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 5233908
N-(4-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3580883
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide
CID 4690397
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6111701
2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 5065891

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide (CID 45055002) is N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide is O=S(=O)(N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide?
The InChIKey is GFITXLBCILVZNU-WGOQTCKBSA-N. The full InChI is InChI=1S/C24H19FN2O3S/c25-20-13-10-18(11-14-20)17-30-24-15-12-19-6-4-5-9-22(19)23(24)16-26-27-31(28,29)21-7-2-1-3-8-21/h1-16,27H,17H2/b26-16+.
What are the key properties of N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide?
N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide has a molecular weight of 434.49 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 45055002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).