N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide

C15H16FNO2S — CID 24824025

IUPACN-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
SMILESCCC1(F)C=CC(=NS(=O)(=O)c2ccc(C)cc2)C=C1
InChIInChI=1S/C15H16FNO2S/c1-3-15(16)10-8-13(9-11-15)17-20(18,19)14-6-4-12(2)5-7-14/h4-11H,3H2,1-2H3/b17-13-
InChIKeyBWPMNEZJCGUGEQ-LGMDPLHJSA-N
MW293.36 g/mol
LogP3.37
Rot. Bonds3

About N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide

N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide (PubChem CID 24824025) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
PubChem CID24824025
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
SMILESCCC1(F)C=CC(=NS(=O)(=O)c2ccc(C)cc2)C=C1
InChIInChI=1S/C15H16FNO2S/c1-3-15(16)10-8-13(9-11-15)17-20(18,19)14-6-4-12(2)5-7-14/h4-11H,3H2,1-2H3/b17-13-
InChIKeyBWPMNEZJCGUGEQ-LGMDPLHJSA-N
XLogP3.37
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Cyclopentanone p-Toluenesulfonylhydrazone
CID 277894
N'-(3-allylcyclohexylidene)-4-methylbenzenesulfonohydrazide
CID 6244004
Cyclohexanone p-Toluenesulfonylhydrazone
CID 244768
1-Propiophenone tosylhydrazone
CID 280394
N-(tert-Butyl)-p-toluenesulfonamide
CID 246472
Acetone p-tosylhydrazone
CID 265413
N-(4-Fluorobenzylidene)-4-methylbenzenesulfonamide
CID 9581544
4-Methyl-N-(4-oxo-2,5-cyclohexadien-1-ylidene)benzenesulfonamide
CID 5237234
3-Pentanone p-Toluenesulfonylhydrazone
CID 277909
N,4-dimethyl-N-[(trifluoromethyl)sulfanyl]benzene-1-sulfonamide
CID 25013612
N-[(4-methyl-1-phenylpent-1-en-3-ylidene)amino]benzenesulfonamide
CID 354536
N'-Cyclododecylidene-4-methylbenzenesulfonohydrazide
CID 380698

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide (CID 24824025) is N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide is CCC1(F)C=CC(=NS(=O)(=O)c2ccc(C)cc2)C=C1.
What is the InChIKey of N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is BWPMNEZJCGUGEQ-LGMDPLHJSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-3-15(16)10-8-13(9-11-15)17-20(18,19)14-6-4-12(2)5-7-14/h4-11H,3H2,1-2H3/b17-13-.
What are the key properties of N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-4-fluorocyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 24824025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).