N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide

C20H16ClFN2O3S — CID 27525499

IUPACN-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NN=Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O3S/c21-20-7-2-1-5-16(20)14-27-18-6-3-4-15(12-18)13-23-24-28(25,26)19-10-8-17(22)9-11-19/h1-13,24H,14H2
InChIKeyRLGWTHOJDFBXIG-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.37
Rot. Bonds7

About N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide

N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide (PubChem CID 27525499) has the molecular formula C20H16ClFN2O3S and a molecular weight of 418.88 g/mol. Its IUPAC name is N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
PubChem CID27525499
Molecular FormulaC20H16ClFN2O3S
Molecular Weight418.88 g/mol
Exact Mass418.06
IUPAC NameN-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NN=Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C20H16ClFN2O3S/c21-20-7-2-1-5-16(20)14-27-18-6-3-4-15(12-18)13-23-24-28(25,26)19-10-8-17(22)9-11-19/h1-13,24H,14H2
InChIKeyRLGWTHOJDFBXIG-UHFFFAOYSA-N
XLogP4.37
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.37
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-[(Z)-[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 22780577
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525501
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340663
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060113
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 6294716
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 5430799
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20987989
N-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840793
4-chloro-N-[(3-fluorophenyl)methylideneamino]benzenesulfonamide
CID 874024
4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9194640
(3S)-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 126271124

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide (CID 27525499) is N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide is O=S(=O)(NN=Cc1cccc(OCc2ccccc2Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide?
The InChIKey is RLGWTHOJDFBXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3S/c21-20-7-2-1-5-16(20)14-27-18-6-3-4-15(12-18)13-23-24-28(25,26)19-10-8-17(22)9-11-19/h1-13,24H,14H2.
What are the key properties of N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide?
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide has a molecular weight of 418.88 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 27525499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).