(NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide

C15H16FNO2S — CID 134997501

IUPAC(NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
SMILESCC1=CC(C)(F)C=C/C1=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H16FNO2S/c1-11-4-6-13(7-5-11)20(18,19)17-14-8-9-15(3,16)10-12(14)2/h4-10H,1-3H3/b17-14-
InChIKeyXGRJARBEXVRTBQ-VKAVYKQESA-N
MW293.36 g/mol
LogP3.37
Rot. Bonds2

About (NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide

(NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide (PubChem CID 134997501) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is (NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
PubChem CID134997501
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC Name(NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide
SMILESCC1=CC(C)(F)C=C/C1=N/S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H16FNO2S/c1-11-4-6-13(7-5-11)20(18,19)17-14-8-9-15(3,16)10-12(14)2/h4-10H,1-3H3/b17-14-
InChIKeyXGRJARBEXVRTBQ-VKAVYKQESA-N
XLogP3.37
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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
N-[(E)-(3-methylcyclohexylidene)amino]benzenesulfonamide
CID 6392166
Cyclohexanone p-Toluenesulfonylhydrazone
CID 244768
N-Benzylidene-4-methylbenzensulfonamide
CID 2755668
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
1,2-Benzisothiazole, 3-methyl-, 1,1-dioxide
CID 10976107

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide (CID 134997501) is (NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide is CC1=CC(C)(F)C=C/C1=N/S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is XGRJARBEXVRTBQ-VKAVYKQESA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-11-4-6-13(7-5-11)20(18,19)17-14-8-9-15(3,16)10-12(14)2/h4-10H,1-3H3/b17-14-.
What are the key properties of (NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide?
(NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(4-fluoro-2,4-dimethylcyclohexa-2,5-dien-1-ylidene)-4-methylbenzenesulfonamide is sourced from PubChem (CID 134997501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).