N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide

C20H17FN2O3S — CID 4992291

IUPACN-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccccc1OCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H17FN2O3S/c21-18-12-10-16(11-13-18)15-26-20-9-5-4-6-17(20)14-22-23-27(24,25)19-7-2-1-3-8-19/h1-14,23H,15H2
InChIKeyFHJTXMYKIGFDKZ-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.72
Rot. Bonds7

About N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide

N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide (PubChem CID 4992291) has the molecular formula C20H17FN2O3S and a molecular weight of 384.43 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
PubChem CID4992291
Molecular FormulaC20H17FN2O3S
Molecular Weight384.43 g/mol
Exact Mass384.09
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccccc1OCc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H17FN2O3S/c21-18-12-10-16(11-13-18)15-26-20-9-5-4-6-17(20)14-22-23-27(24,25)19-7-2-1-3-8-19/h1-14,23H,15H2
InChIKeyFHJTXMYKIGFDKZ-UHFFFAOYSA-N
XLogP3.72
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.72
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

4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 5233908
N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide
CID 45055002
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 91972454
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874
3-nitro-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517374
N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110509597
2,3,4,5,6-pentafluoro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 5080899
N-[(E)-(2-fluorophenyl)methylideneamino]benzenesulfonamide
CID 6894293
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 2551534
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516458

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide (CID 4992291) is N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is O=S(=O)(NN=Cc1ccccc1OCc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is FHJTXMYKIGFDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3S/c21-18-12-10-16(11-13-18)15-26-20-9-5-4-6-17(20)14-22-23-27(24,25)19-7-2-1-3-8-19/h1-14,23H,15H2.
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 384.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 4992291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).