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

C20H16ClFN2O3S — CID 5233908

IUPAC4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN2O3S/c21-17-7-11-19(12-8-17)28(25,26)24-23-13-16-3-1-2-4-20(16)27-14-15-5-9-18(22)10-6-15/h1-13,24H,14H2
InChIKeyVTNQTHCSYMLVQX-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.37
Rot. Bonds7

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

4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide (PubChem CID 5233908) has the molecular formula C20H16ClFN2O3S and a molecular weight of 418.88 g/mol. Its IUPAC name is 4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
PubChem CID5233908
Molecular FormulaC20H16ClFN2O3S
Molecular Weight418.88 g/mol
Exact Mass418.06
IUPAC Name4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
SMILESO=S(=O)(NN=Cc1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16ClFN2O3S/c21-17-7-11-19(12-8-17)28(25,26)24-23-13-16-3-1-2-4-20(16)27-14-15-5-9-18(22)10-6-15/h1-13,24H,14H2
InChIKeyVTNQTHCSYMLVQX-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-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 4992291
N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 91972454
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525501
4-chloro-N-[(E)-[2-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110516226
2-(4-chlorophenyl)-N-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 21379839
N-[(E)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzenesulfonamide
CID 45055002
5-chloro-2-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516949
3-nitro-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517374
N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643075
4-fluoro-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110516458
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
N-[(Z)-(2-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 6116874

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide (CID 5233908) is 4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is O=S(=O)(NN=Cc1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is VTNQTHCSYMLVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O3S/c21-17-7-11-19(12-8-17)28(25,26)24-23-13-16-3-1-2-4-20(16)27-14-15-5-9-18(22)10-6-15/h1-13,24H,14H2.
What are the key properties of 4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide?
4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide 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 4-chloro-N-[[2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 5233908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).