N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide

C20H15ClF2N2O3S — CID 22780577

IUPACN-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(N/N=C\c1cccc(OCc2ccc(F)cc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C20H15ClF2N2O3S/c21-20-11-17(23)5-4-15(20)13-28-18-3-1-2-14(10-18)12-24-25-29(26,27)19-8-6-16(22)7-9-19/h1-12,25H,13H2/b24-12-
InChIKeyGBRUSPFOTSGINP-MSXFZWOLSA-N
MW436.87 g/mol
LogP4.51
Rot. Bonds7

About N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide

N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide (PubChem CID 22780577) has the molecular formula C20H15ClF2N2O3S and a molecular weight of 436.87 g/mol. Its IUPAC name is N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
PubChem CID22780577
Molecular FormulaC20H15ClF2N2O3S
Molecular Weight436.87 g/mol
Exact Mass436.05
IUPAC NameN-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(N/N=C\c1cccc(OCc2ccc(F)cc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C20H15ClF2N2O3S/c21-20-11-17(23)5-4-15(20)13-28-18-3-1-2-14(10-18)12-24-25-29(26,27)19-8-6-16(22)7-9-19/h1-12,25H,13H2/b24-12-
InChIKeyGBRUSPFOTSGINP-MSXFZWOLSA-N
XLogP4.51
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.87
LogP ≤ 54.51
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'}

Analyze N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525499
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525501
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840793
4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
CID 874024
[[3-[(2,4-difluorophenyl)methoxy]phenyl]methylideneamino]urea
CID 168532086
N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide
CID 141122633
4-chloro-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]benzenesulfonamide
CID 110516223
4-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908628
[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530136
4-bromo-N-[(E)-[3-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516030
4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5431510
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide (CID 22780577) is N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide is O=S(=O)(N/N=C\c1cccc(OCc2ccc(F)cc2Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide?
The InChIKey is GBRUSPFOTSGINP-MSXFZWOLSA-N. The full InChI is InChI=1S/C20H15ClF2N2O3S/c21-20-11-17(23)5-4-15(20)13-28-18-3-1-2-14(10-18)12-24-25-29(26,27)19-8-6-16(22)7-9-19/h1-12,25H,13H2/b24-12-.
What are the key properties of N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide?
N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide has a molecular weight of 436.87 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 22780577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).