N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide

C16H14BrFN2OS — CID 155312291

IUPACN-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide
SMILESC=CN(/N=C(\C)c1ccc(Br)cc1)S(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14BrFN2OS/c1-3-20(22(21)16-10-8-15(18)9-11-16)19-12(2)13-4-6-14(17)7-5-13/h3-11H,1H2,2H3/b19-12+
InChIKeyVMJMPXXVOFKIIZ-XDHOZWIPSA-N
MW381.27 g/mol
LogP4.48
Rot. Bonds5

About N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide

N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide (PubChem CID 155312291) has the molecular formula C16H14BrFN2OS and a molecular weight of 381.27 g/mol. Its IUPAC name is N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide.

Molecular Properties

Compound NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide
PubChem CID155312291
Molecular FormulaC16H14BrFN2OS
Molecular Weight381.27 g/mol
Exact Mass380.00
IUPAC NameN-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide
SMILESC=CN(/N=C(\C)c1ccc(Br)cc1)S(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14BrFN2OS/c1-3-20(22(21)16-10-8-15(18)9-11-16)19-12(2)13-4-6-14(17)7-5-13/h3-11H,1H2,2H3/b19-12+
InChIKeyVMJMPXXVOFKIIZ-XDHOZWIPSA-N
XLogP4.48
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.27
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide?
The IUPAC name of N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide (CID 155312291) is N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide.
What is the SMILES notation for N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide?
The canonical SMILES for N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide is C=CN(/N=C(\C)c1ccc(Br)cc1)S(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide?
The InChIKey is VMJMPXXVOFKIIZ-XDHOZWIPSA-N. The full InChI is InChI=1S/C16H14BrFN2OS/c1-3-20(22(21)16-10-8-15(18)9-11-16)19-12(2)13-4-6-14(17)7-5-13/h3-11H,1H2,2H3/b19-12+.
What are the key properties of N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide?
N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide has a molecular weight of 381.27 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-bromophenyl)ethylideneamino]-N-ethenyl-4-fluorobenzenesulfinamide is sourced from PubChem (CID 155312291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).