(NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide

C13H9ClFNOS — CID 135044993

IUPAC(NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide
SMILESO=S(/N=C/c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClFNOS/c14-11-3-7-13(8-4-11)18(17)16-9-10-1-5-12(15)6-2-10/h1-9H/b16-9+
InChIKeyYABIFEAPMJLQCB-CXUHLZMHSA-N
MW281.74 g/mol
LogP3.62
Rot. Bonds3

About (NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide

(NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide (PubChem CID 135044993) has the molecular formula C13H9ClFNOS and a molecular weight of 281.74 g/mol. Its IUPAC name is (NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide.

Molecular Properties

Compound Name(NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide
PubChem CID135044993
Molecular FormulaC13H9ClFNOS
Molecular Weight281.74 g/mol
Exact Mass281.01
IUPAC Name(NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide
SMILESO=S(/N=C/c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClFNOS/c14-11-3-7-13(8-4-11)18(17)16-9-10-1-5-12(15)6-2-10/h1-9H/b16-9+
InChIKeyYABIFEAPMJLQCB-CXUHLZMHSA-N
XLogP3.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-Chlorobenzylidene)-4-methylbenzenesulfonamide
CID 5706324
4-chloro-N'-(2-chloro-6-fluorobenzylidene)benzenesulfonohydrazide
CID 5411764
N'-(2-chloro-6-fluorobenzylidene)benzenesulfonohydrazide
CID 6897306
N'-(2-chloro-6-fluorobenzylidene)-4-methylbenzenesulfonohydrazide
CID 6898016
N'-[(3-chlorophenyl)methylidene]benzenesulfonohydrazide
CID 343078
4-chloro-N'-(3-phenyl-2-propen-1-ylidene)benzenesulfonohydrazide
CID 5661799
N-(4-fluorobenzylidene)-4-methylbenzenesulfinamide
CID 9683701
N-[(4-chlorophenyl)methylidene]-4-methylbenzenesulfonamide
CID 2755675
N-benzylidene-4-chlorobenzenesulfonamide
CID 9601254
(NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
CID 19026285
N-(4-Fluoro-benzylidene)benzenesulfonamide
CID 9581562
(NE,S)-N-[(4-fluorophenyl)methylidene]-4-methylbenzenesulfinamide
CID 10825309

Frequently Asked Questions

What is the IUPAC name of (NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide?
The IUPAC name of (NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide (CID 135044993) is (NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide.
What is the SMILES notation for (NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide?
The canonical SMILES for (NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide is O=S(/N=C/c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of (NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide?
The InChIKey is YABIFEAPMJLQCB-CXUHLZMHSA-N. The full InChI is InChI=1S/C13H9ClFNOS/c14-11-3-7-13(8-4-11)18(17)16-9-10-1-5-12(15)6-2-10/h1-9H/b16-9+.
What are the key properties of (NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide?
(NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide has a molecular weight of 281.74 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-chloro-N-[(4-fluorophenyl)methylidene]benzenesulfinamide is sourced from PubChem (CID 135044993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).